 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer03_STD_wB97XD_augccpVDZ.in
 Output=30_ibuprofen_conformer03_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-39306.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     39315.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer03_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer03_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.859135000000     -0.797445000000      1.307905000000
  C                                                 1.475419000000     -0.773087000000      0.059735000000
  C                                                -0.519198000000     -0.667837000000      1.430715000000
  C                                                -1.322882000000     -0.517669000000      0.305982000000
  C                                                -0.712213000000     -0.493664000000     -0.948233000000
  C                                                 0.663373000000     -0.619230000000     -1.065423000000
  C                                                 2.970409000000     -0.867475000000     -0.082211000000
  C                                                 3.653427000000      0.477889000000     -0.397780000000
  C                                                 5.142776000000      0.265827000000     -0.664323000000
  C                                                 3.434072000000      1.499169000000      0.716682000000
  C                                                -2.832871000000     -0.408434000000      0.441812000000
  C                                                -3.288620000000      0.891062000000     -0.193882000000
  O                                                -3.674162000000      1.023041000000     -1.326622000000
  O                                                -3.185052000000      1.931949000000      0.663544000000
  H                                                 1.465467000000     -0.914551000000      2.198032000000
  H                                                -0.973985000000     -0.684881000000      2.413842000000
  H                                                -1.317893000000     -0.368693000000     -1.836932000000
  H                                                 1.116639000000     -0.598906000000     -2.049722000000
  H                                                 3.214767000000     -1.574910000000     -0.879790000000
  H                                                 3.401771000000     -1.271409000000      0.838508000000
  H                                                 3.194988000000      0.870891000000     -1.312084000000
  H                                                 5.304831000000     -0.437524000000     -1.483935000000
  H                                                 5.641346000000     -0.134788000000      0.222807000000
  H                                                 5.634047000000      1.205490000000     -0.924389000000
  H                                                 3.868992000000      1.144050000000      1.655622000000
  H                                                 2.373464000000      1.684234000000      0.888790000000
  H                                                 3.908029000000      2.451247000000      0.470321000000
  H                                                -3.064982000000     -0.343640000000      1.505550000000
  C                                                -3.561082000000     -1.603695000000     -0.175784000000
  H                                                -3.441613000000      2.729075000000      0.173539000000
  H                                                -3.372170000000     -1.659027000000     -1.246468000000
  H                                                -4.638896000000     -1.523016000000     -0.028230000000
  H                                                -3.211554000000     -2.526025000000      0.287996000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392238   0.000000
     3  C    1.389850   2.422635   0.000000
     4  C    2.417297   2.820703   1.390497   0.000000
     5  C    2.766148   2.424832   2.393112   1.395187   0.000000
     6  C    2.388047   1.396091   2.762525   2.415838   1.386267
     7  C    2.528795   1.504677   3.808695   4.324975   3.801504
     8  C    3.513390   2.553033   4.697540   5.123482   4.506188
     9  C    4.834233   3.879834   6.108917   6.584838   5.910865
    10  C    3.500612   3.071001   4.564439   5.183138   4.892341
    11  C    3.812133   4.340543   2.529486   1.520016   2.537061
    12  C    4.723377   5.052700   3.569199   2.469517   3.020660
    13  O    5.550287   5.627277   4.518382   3.250800   3.349136
    14  O    4.921406   5.422342   3.801870   3.097766   3.820518
    15  H    1.083364   2.142994   2.142087   3.392972   3.849470
    16  H    2.143851   3.398408   1.083356   2.143073   3.377667
    17  H    3.848802   3.400511   3.377117   2.148092   1.082706
    18  H    3.373334   2.146828   3.846317   3.392227   2.137534
    19  H    3.307486   2.133298   4.483716   4.807710   4.073690
    20  H    2.628683   2.136737   4.011110   4.813944   4.552164
    21  H    3.886373   2.746173   4.866807   4.995737   4.154590
    22  H    5.261951   4.142453   6.516713   6.865625   6.041105
    23  H    4.948343   4.217697   6.300435   6.975241   6.470536
    24  H    5.638676   4.709294   6.849693   7.271998   6.569833
    25  H    3.598548   3.457089   4.752865   5.615905   5.518116
    26  H    2.937274   2.744493   3.767415   4.341776   4.199916
    27  H    4.533354   4.059865   5.500126   6.016968   5.659632
    28  H    3.955211   4.784354   2.567435   2.122301   3.402805
    29  C    4.731775   5.109963   3.565070   2.533987   3.153554
    30  H    5.676228   6.037822   4.654032   3.879163   4.369673
    31  H    5.017080   5.098056   4.035990   2.812895   2.919313
    32  H    5.704389   6.160761   4.453287   3.481145   4.162308
    33  H    4.538580   5.009253   3.465177   2.756973   3.450429
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.520069   0.000000
     8  C    3.254203   1.541461   0.000000
     9  C    4.583586   2.518413   1.527801   0.000000
    10  C    3.916668   2.540515   1.527467   2.519519   0.000000
    11  C    3.813124   5.844945   6.600193   8.080168   6.556606
    12  C    4.319585   6.502335   6.957320   8.467625   6.811278
    13  O    4.645373   7.019468   7.406315   8.874143   7.411395
    14  O    4.930336   6.803133   7.071456   8.596041   6.633470
    15  H    3.373530   2.732503   3.669373   4.807179   3.449036
    16  H    3.845847   4.671388   5.538068   6.913300   5.203979
    17  H    2.140890   4.660189   5.244224   6.596808   5.708855
    18  H    1.083839   2.716559   3.213050   4.344752   4.174375
    19  H    2.730823   1.093758   2.153773   2.674314   3.470847
    20  H    3.398399   1.094056   2.156799   2.766350   2.773443
    21  H    2.947944   2.141247   1.095705   2.139994   2.137238
    22  H    4.663829   2.756667   2.178267   1.092121   3.477533
    23  H    5.164730   2.786354   2.170789   1.093647   2.790302
    24  H    5.296895   3.478709   2.174759   1.091764   2.760299
    25  H    4.559521   2.806020   2.169493   2.788538   1.094017
    26  H    3.471211   2.794710   2.179182   3.477517   1.090303
    27  H    4.723784   3.492612   2.170844   2.754647   1.091687
    28  H    4.537233   6.262694   7.030974   8.511586   6.801173
    29  C    4.427940   6.573519   7.512085   8.915768   7.704313
    30  H    5.440320   7.356263   7.465510   8.970024   7.005906
    31  H    4.171278   6.496950   7.392273   8.749186   7.755842
    32  H    5.477833   7.637681   8.538314   9.964220   8.652243
    33  H    4.525778   6.411280   7.524743   8.859807   7.781408
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516741   0.000000
    13  O    2.425747   1.203811   0.000000
    14  O    2.377097   1.352535   2.241897   0.000000
    15  H    4.670779   5.619861   6.526349   5.664322   0.000000
    16  H    2.724111   3.826402   4.919250   3.847098   2.459725
    17  H    2.736679   2.858384   2.783764   3.877063   4.932138
    18  H    4.673612   5.007040   5.109340   5.680808   4.273725
    19  H    6.299303   6.988958   7.376066   7.459063   3.601265
    20  H    6.306572   7.106577   7.747330   7.326551   2.392682
    21  H    6.406864   6.579358   6.870850   6.762681   4.301158
    22  H    8.362508   8.790721   9.098369   9.072165   5.340894
    23  H    8.481462   8.998349   9.514199   9.075844   4.684817
    24  H    8.726967   8.958041   9.318682   8.990316   5.623268
    25  H    6.985593   7.397032   8.112188   7.166906   3.210760
    26  H    5.628941   5.818977   6.474489   5.568590   3.048320
    27  H    7.322453   7.393720   7.922020   7.114689   4.503298
    28  H    1.090694   2.112480   3.203141   2.429341   4.618489
    29  C    1.529825   2.509656   2.870010   3.653307   5.601439
    30  H    3.207257   1.880611   2.283662   0.970226   6.438479
    31  H    2.169128   2.760049   2.700206   4.071642   5.985111
    32  H    2.173697   2.771003   3.016445   3.811692   6.526080
    33  H    2.156676   3.451757   3.926432   4.473843   5.302793
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276368   0.000000
    18  H    4.929656   2.454633   0.000000
    19  H    5.402389   4.787075   2.592965   0.000000
    20  H    4.687530   5.499828   3.743790   1.754888   0.000000
    21  H    5.803730   4.709366   2.650273   2.483790   3.042574
    22  H    7.394416   6.632482   4.229316   2.454996   3.116207
    23  H    6.990411   7.261422   5.084562   3.029514   2.585864
    24  H    7.640901   7.186116   4.992914   3.685855   3.771723
    25  H    5.232047   6.433514   4.933854   3.774794   2.592376
    26  H    4.375375   5.026946   3.927746   3.802326   3.129819
    27  H    6.119365   6.370694   4.842097   4.302715   3.774921
    28  H    2.305148   3.771622   5.494640   6.829430   6.566932
    29  C    3.774050   3.052301   5.138319   6.812385   7.044184
    30  H    4.771084   4.260088   6.065971   7.996323   7.954745
    31  H    4.483093   2.496731   4.681718   6.597671   7.098144
    32  H    4.483052   3.953849   6.169813   7.899865   8.091160
    33  H    3.593849   3.571464   5.283178   6.600450   6.753754
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488558   0.000000
    23  H    3.058096   1.765746   0.000000
    24  H    2.492243   1.766627   1.764216   0.000000
    25  H    3.055516   3.797345   2.613355   3.126604   0.000000
    26  H    2.486016   4.327192   3.798872   3.761411   1.765342
    27  H    2.486548   3.757016   3.123016   2.544851   1.765000
    28  H    6.971468   8.888172   8.802795   9.163925   7.093359
    29  C    7.284177   9.037457   9.327446   9.643771   8.130815
    30  H    7.050134   9.448537   9.523880   9.267921   7.625865
    31  H    7.037923   8.765775   9.258809   9.456275   8.289378
    32  H    8.291490  10.108169  10.376588  10.666827   9.073740
    33  H    7.425838   8.945971   9.170393   9.676711   8.091600
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765875   0.000000
    28  H    5.836897   7.583269   0.000000
    29  C    6.867505   8.523358   2.158874   0.000000
    30  H    5.951336   7.360877   3.370116   4.348470   0.000000
    31  H    6.982051   8.534812   3.065650   1.088629   4.612665
    32  H    7.765344   9.438922   2.494116   1.090855   4.422044
    33  H    7.019947   8.688782   2.503343   1.089933   5.261378
                   31         32         33
    31  H    0.000000
    32  H    1.762724   0.000000
    33  H    1.769763   1.772944   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3245287           0.2608361           0.2514997
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.9962246704 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0239735033 Hartrees.
 Nuclear repulsion after empirical dispersion term =      972.9722511672 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.09D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.98D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer03_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:44 2021, MaxMem=  6442450944 cpu:               9.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.578700330876    
 DIIS: error= 1.88D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.578700330876     IErMin= 1 ErrMin= 1.88D-03
 ErrMax= 1.88D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.87D-03 BMatP= 7.87D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.88D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.363 Goal=   None    Shift=    0.000
 GapD=    0.363 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.46D-02 MaxDP=5.50D+00              OVMax= 1.10D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.55D-02    CP:  1.54D+00
 E= -656.584831813054     Delta-E=       -0.006131482178 Rises=F Damp=F
 DIIS: error= 2.15D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.584831813054     IErMin= 2 ErrMin= 2.15D-04
 ErrMax= 2.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-04 BMatP= 7.87D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.15D-03
 Coeff-Com: -0.462D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.461D-01 0.105D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=6.72D-03 MaxDP=8.08D-01 DE=-6.13D-03 OVMax= 3.87D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.08D-03    CP:  1.63D+00  1.14D+00
 E= -656.584975385336     Delta-E=       -0.000143572282 Rises=F Damp=F
 DIIS: error= 2.39D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.584975385336     IErMin= 2 ErrMin= 2.15D-04
 ErrMax= 2.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.96D-05 BMatP= 1.23D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.39D-03
 Coeff-Com: -0.351D-01 0.480D+00 0.555D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.350D-01 0.479D+00 0.556D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.67D-04 MaxDP=4.15D-02 DE=-1.44D-04 OVMax= 1.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.75D-05    CP:  1.63D+00  1.15D+00  1.08D+00
 E= -656.585030334711     Delta-E=       -0.000054949375 Rises=F Damp=F
 DIIS: error= 4.81D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.585030334711     IErMin= 4 ErrMin= 4.81D-05
 ErrMax= 4.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-06 BMatP= 7.96D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.187D-02-0.288D-01 0.125D+00 0.906D+00
 Coeff:     -0.187D-02-0.288D-01 0.125D+00 0.906D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.05D-04 MaxDP=2.17D-02 DE=-5.49D-05 OVMax= 5.62D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.08D-05    CP:  1.63D+00  1.16D+00  1.15D+00  1.54D+00
 E= -656.585033836665     Delta-E=       -0.000003501954 Rises=F Damp=F
 DIIS: error= 2.27D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.585033836665     IErMin= 5 ErrMin= 2.27D-05
 ErrMax= 2.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.09D-07 BMatP= 3.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-02-0.480D-01 0.737D-02 0.382D+00 0.657D+00
 Coeff:      0.180D-02-0.480D-01 0.737D-02 0.382D+00 0.657D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.07D-05 MaxDP=1.48D-03 DE=-3.50D-06 OVMax= 2.88D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.10D-05    CP:  1.63D+00  1.16D+00  1.16D+00  1.66D+00  1.11D+00
 E= -656.585034387970     Delta-E=       -0.000000551305 Rises=F Damp=F
 DIIS: error= 6.70D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.585034387970     IErMin= 6 ErrMin= 6.70D-06
 ErrMax= 6.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-07 BMatP= 6.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-02-0.199D-01-0.104D-01 0.830D-01 0.328D+00 0.619D+00
 Coeff:      0.109D-02-0.199D-01-0.104D-01 0.830D-01 0.328D+00 0.619D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=9.44D-06 MaxDP=1.04D-03 DE=-5.51D-07 OVMax= 9.28D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.30D-06    CP:  1.63D+00  1.16D+00  1.16D+00  1.68D+00  1.17D+00
                    CP:  1.14D+00
 E= -656.585034472387     Delta-E=       -0.000000084418 Rises=F Damp=F
 DIIS: error= 1.98D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.585034472387     IErMin= 7 ErrMin= 1.98D-06
 ErrMax= 1.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.02D-09 BMatP= 1.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.158D-03-0.911D-03-0.451D-02-0.204D-01 0.440D-01 0.236D+00
 Coeff-Com:  0.745D+00
 Coeff:      0.158D-03-0.911D-03-0.451D-02-0.204D-01 0.440D-01 0.236D+00
 Coeff:      0.745D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=7.39D-06 MaxDP=8.58D-04 DE=-8.44D-08 OVMax= 4.83D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.55D-06    CP:  1.63D+00  1.16D+00  1.16D+00  1.69D+00  1.19D+00
                    CP:  1.20D+00  1.33D+00
 E= -656.585034482037     Delta-E=       -0.000000009650 Rises=F Damp=F
 DIIS: error= 5.94D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.585034482037     IErMin= 8 ErrMin= 5.94D-07
 ErrMax= 5.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.53D-10 BMatP= 8.02D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.767D-04 0.203D-02-0.145D-03-0.168D-01-0.268D-01-0.205D-01
 Coeff-Com:  0.230D+00 0.833D+00
 Coeff:     -0.767D-04 0.203D-02-0.145D-03-0.168D-01-0.268D-01-0.205D-01
 Coeff:      0.230D+00 0.833D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.34D-06 MaxDP=2.92D-04 DE=-9.65D-09 OVMax= 1.41D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.96D-07    CP:  1.63D+00  1.16D+00  1.16D+00  1.69D+00  1.20D+00
                    CP:  1.23D+00  1.35D+00  1.18D+00
 E= -656.585034483199     Delta-E=       -0.000000001162 Rises=F Damp=F
 DIIS: error= 1.68D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.585034483199     IErMin= 9 ErrMin= 1.68D-07
 ErrMax= 1.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-11 BMatP= 8.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.410D-04 0.844D-03 0.279D-03-0.501D-02-0.128D-01-0.283D-01
 Coeff-Com:  0.329D-01 0.305D+00 0.708D+00
 Coeff:     -0.410D-04 0.844D-03 0.279D-03-0.501D-02-0.128D-01-0.283D-01
 Coeff:      0.329D-01 0.305D+00 0.708D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.54D-07 MaxDP=1.88D-05 DE=-1.16D-09 OVMax= 4.88D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.63D-07    CP:  1.63D+00  1.16D+00  1.16D+00  1.69D+00  1.20D+00
                    CP:  1.23D+00  1.38D+00  1.20D+00  1.07D+00
 E= -656.585034483328     Delta-E=       -0.000000000128 Rises=F Damp=F
 DIIS: error= 7.44D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.585034483328     IErMin=10 ErrMin= 7.44D-08
 ErrMax= 7.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-11 BMatP= 8.92D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.175D-05-0.456D-04 0.131D-03 0.118D-02 0.595D-03-0.766D-02
 Coeff-Com: -0.261D-01-0.379D-01 0.257D+00 0.812D+00
 Coeff:     -0.175D-05-0.456D-04 0.131D-03 0.118D-02 0.595D-03-0.766D-02
 Coeff:     -0.261D-01-0.379D-01 0.257D+00 0.812D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.66D-07 MaxDP=2.57D-05 DE=-1.28D-10 OVMax= 2.05D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.97D-08    CP:  1.63D+00  1.16D+00  1.16D+00  1.69D+00  1.20D+00
                    CP:  1.23D+00  1.38D+00  1.21D+00  1.11D+00  1.03D+00
 E= -656.585034483276     Delta-E=        0.000000000051 Rises=F Damp=F
 DIIS: error= 2.47D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.585034483328     IErMin=11 ErrMin= 2.47D-08
 ErrMax= 2.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-12 BMatP= 1.45D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.467D-05-0.127D-03 0.840D-05 0.105D-02 0.200D-02 0.527D-03
 Coeff-Com: -0.128D-01-0.531D-01 0.411D-02 0.281D+00 0.778D+00
 Coeff:      0.467D-05-0.127D-03 0.840D-05 0.105D-02 0.200D-02 0.527D-03
 Coeff:     -0.128D-01-0.531D-01 0.411D-02 0.281D+00 0.778D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=8.45D-08 MaxDP=9.11D-06 DE= 5.14D-11 OVMax= 8.22D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.28D-08    CP:  1.63D+00  1.16D+00  1.16D+00  1.69D+00  1.20D+00
                    CP:  1.23D+00  1.37D+00  1.20D+00  1.12D+00  1.10D+00
                    CP:  1.11D+00
 E= -656.585034483385     Delta-E=       -0.000000000109 Rises=F Damp=F
 DIIS: error= 9.64D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.585034483385     IErMin=12 ErrMin= 9.64D-09
 ErrMax= 9.64D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-13 BMatP= 1.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-05-0.303D-04-0.156D-04 0.141D-03 0.536D-03 0.106D-02
 Coeff-Com: -0.935D-04-0.108D-01-0.305D-01-0.256D-01 0.225D+00 0.840D+00
 Coeff:      0.155D-05-0.303D-04-0.156D-04 0.141D-03 0.536D-03 0.106D-02
 Coeff:     -0.935D-04-0.108D-01-0.305D-01-0.256D-01 0.225D+00 0.840D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.68D-08 MaxDP=1.18D-06 DE=-1.09D-10 OVMax= 4.35D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.94D-09    CP:  1.63D+00  1.16D+00  1.16D+00  1.69D+00  1.20D+00
                    CP:  1.23D+00  1.37D+00  1.20D+00  1.11D+00  1.11D+00
                    CP:  1.19D+00  1.10D+00
 E= -656.585034483367     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 6.02D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -656.585034483385     IErMin=13 ErrMin= 6.02D-09
 ErrMax= 6.02D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.96D-14 BMatP= 2.02D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.318D-06 0.121D-04-0.478D-05-0.128D-03-0.170D-03 0.198D-03
 Coeff-Com:  0.194D-02 0.536D-02-0.800D-02-0.510D-01-0.697D-01 0.207D+00
 Coeff-Com:  0.914D+00
 Coeff:     -0.318D-06 0.121D-04-0.478D-05-0.128D-03-0.170D-03 0.198D-03
 Coeff:      0.194D-02 0.536D-02-0.800D-02-0.510D-01-0.697D-01 0.207D+00
 Coeff:      0.914D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=1.00D-08 MaxDP=7.50D-07 DE= 1.77D-11 OVMax= 2.53D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.27D-09    CP:  1.63D+00  1.16D+00  1.16D+00  1.69D+00  1.20D+00
                    CP:  1.23D+00  1.37D+00  1.20D+00  1.11D+00  1.11D+00
                    CP:  1.22D+00  1.17D+00  1.03D+00
 E= -656.585034483364     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 1.53D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -656.585034483385     IErMin=14 ErrMin= 1.53D-09
 ErrMax= 1.53D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-15 BMatP= 2.96D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.332D-06 0.822D-05 0.827D-06-0.616D-04-0.136D-03-0.791D-04
 Coeff-Com:  0.604D-03 0.328D-02 0.224D-02-0.114D-01-0.558D-01-0.650D-01
 Coeff-Com:  0.291D+00 0.835D+00
 Coeff:     -0.332D-06 0.822D-05 0.827D-06-0.616D-04-0.136D-03-0.791D-04
 Coeff:      0.604D-03 0.328D-02 0.224D-02-0.114D-01-0.558D-01-0.650D-01
 Coeff:      0.291D+00 0.835D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=3.02D-09 MaxDP=2.65D-07 DE= 3.41D-12 OVMax= 1.12D-07

 SCF Done:  E(RwB97XD) =  -656.585034483     A.U. after   14 cycles
            NFock= 14  Conv=0.30D-08     -V/T= 2.0061
 KE= 6.526018605472D+02 PE=-3.473091327689D+03 EE= 1.190932181492D+03
 Leave Link  502 at Wed Sep  8 12:53:09 2021, MaxMem=  6442450944 cpu:           11232.9 elap:            1404.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10798629D+03

 Leave Link  801 at Wed Sep  8 12:53:09 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10248 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.64D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.29D-01 6.02D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 4.92D-02 6.34D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.83D-03 1.63D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 7.63D-04 5.46D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 9.06D-05 1.12D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 7.24D-06 4.22D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 4.46D-07 1.01D-04.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 1.66D-08 1.96D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 5.07D-10 3.01D-06.
      8 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.37D-11 5.35D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 4.00D-13 6.34D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 2.55D-14 9.93D-09.
      1 vectors produced by pass 13 Test12= 4.20D-13 8.33D-09 XBig12= 1.11D-14 9.02D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.219930D+03
      2 -0.711688D+00  0.135570D+03
      3  0.587698D+00 -0.129024D-01  0.154596D+03
 Isotropic polarizability for W=    0.088559      170.03 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.243047D+03  0.379789D+02 -0.765062D+02
      2  -0.131685D+03 -0.940797D+01  0.337064D+02
      3  -0.111361D+03 -0.285709D+02  0.427997D+02
      4  -0.437569D+02  0.639189D+02  0.104246D+02
      5  -0.475221D+02  0.692730D+01  0.941261D+02
      6   0.683529D+01  0.122260D+02 -0.521514D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.705835D+01 -0.182439D+01  0.238340D+02
      2  -0.444205D+02  0.472716D+01  0.437695D+02
      3  -0.995185D+02 -0.348805D+02 -0.178797D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.349729D+01 -0.214804D+02  0.235805D+02
      2  -0.289841D+02  0.358930D+01  0.205487D+03
      3  -0.817358D+02 -0.195604D+03 -0.920095D-01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.595272D+00  0.525314D+01  0.116517D+02
      2   0.525314D+01 -0.352584D+01 -0.986878D+00
      3   0.116517D+02 -0.986878D+00 -0.118860D+01
 OR G Eigenvalues:   -13.8421    -2.3493    12.0723  Iso=     1.3731
 Eigenvectors:
   (1)   0.659565  -0.396918  -0.638303
   (2)   0.118808   0.893582  -0.432893
   (3)   0.742199   0.209686   0.636532
 w=    0.088559 a.u., Optical Rotation Beta=      1.3731 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      337.52 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 2.92D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.39D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 4.37D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.42D-02 2.45D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.23D-03 8.28D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 5.46D-05 1.59D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.64D-06 1.84D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 2.60D-08 1.81D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 4.57D-10 1.67D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 6.20D-12 1.65D-07.
     27 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 6.35D-14 1.85D-08.
      8 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 7.73D-15 8.48D-09.
      3 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 2.61D-15 4.17D-09.
      3 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 2.29D-15 3.23D-09.
      3 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 1.64D-14 1.05D-08.
      2 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 1.04D-14 6.37D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   286 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.42D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.42D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.71D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219930D+03 -0.711688D+00  0.587698D+00
      2  -0.711688D+00  0.135570D+03 -0.129024D-01
      3   0.587698D+00 -0.129024D-01  0.154596D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.705835D+01 -0.182439D+01  0.238340D+02
      2  -0.444205D+02  0.472716D+01  0.437695D+02
      3  -0.995185D+02 -0.348805D+02 -0.178797D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.243047D+03  0.379789D+02 -0.765062D+02
      2  -0.131685D+03 -0.940797D+01  0.337064D+02
      3  -0.111361D+03 -0.285709D+02  0.427997D+02
      4  -0.437569D+02  0.639189D+02  0.104246D+02
      5  -0.475221D+02  0.692730D+01  0.941261D+02
      6   0.683529D+01  0.122260D+02 -0.521514D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.109166D+02  0.644237D+00  0.169091D+00  0.151333D+01  0.207596D+01
      2   0.644237D+00  0.170520D+01 -0.154830D+00  0.207596D+01 -0.174428D+01
      3   0.169091D+00 -0.154830D+00  0.377572D+01  0.758673D+00  0.347626D+01
                 6             7             8             9            10 
      1   0.758673D+00  0.139454D+02  0.612754D+00 -0.128166D+01  0.300075D+02
      2   0.347626D+01  0.612754D+00  0.153525D+01  0.361432D+00  0.109864D+01
      3  -0.400045D+00 -0.128166D+01  0.361432D+00  0.288244D+00 -0.148315D+01
                11            12            13            14            15 
      1   0.109864D+01 -0.148315D+01 -0.169695D+01  0.490720D+01  0.486163D+00
      2   0.157879D+01 -0.258468D+00  0.490720D+01 -0.101663D+01 -0.224197D+00
      3  -0.258468D+00  0.335381D+01  0.486163D+00 -0.224197D+00 -0.832251D+00
                16            17            18            19            20 
      1  -0.344854D+01  0.430114D+00  0.656321D+00  0.131209D+02 -0.571883D+00
      2   0.430114D+00 -0.396391D+00 -0.690812D+00 -0.571883D+00 -0.176833D+01
      3   0.656321D+00 -0.690812D+00  0.922311D+00 -0.242964D+00  0.120453D+01
                21            22            23            24            25 
      1  -0.242964D+00 -0.793930D+00 -0.193243D+01  0.558884D+00  0.121796D+02
      2   0.120453D+01 -0.193243D+01 -0.479753D+00  0.359762D+01 -0.897467D+00
      3  -0.300515D+01  0.558884D+00  0.359762D+01  0.499351D+00  0.116104D+01
                26            27            28            29            30 
      1  -0.897467D+00  0.116104D+01 -0.276074D+02 -0.268804D+00  0.453509D+00
      2   0.219396D+01  0.224136D+00 -0.268804D+00 -0.153217D+01 -0.571790D-01
      3   0.224136D+00  0.100539D+01  0.453509D+00 -0.571790D-01 -0.279104D+01
                31            32            33            34            35 
      1   0.274561D+01 -0.519490D+01 -0.791829D-01  0.134738D+01 -0.186639D+00
      2  -0.519490D+01  0.609035D+00 -0.648890D-01 -0.186639D+00 -0.631757D+00
      3  -0.791829D-01 -0.648890D-01  0.239137D+00 -0.426170D+00 -0.448561D+00
                36            37            38            39            40 
      1  -0.426170D+00  0.873968D+01 -0.340495D+00 -0.433285D+00  0.367098D+00
      2  -0.448561D+00 -0.340495D+00 -0.167048D+01 -0.850814D+00 -0.161107D+01
      3   0.957925D+00 -0.433285D+00 -0.850814D+00 -0.296564D+01 -0.436911D+00
                41            42            43            44            45 
      1  -0.161107D+01 -0.436911D+00 -0.136989D+02  0.578369D+00  0.205460D+00
      2   0.741261D+00 -0.301799D+01  0.578369D+00 -0.154513D+01 -0.466448D-01
      3  -0.301799D+01  0.305442D-01  0.205460D+00 -0.466448D-01 -0.121649D+01
                46            47            48            49            50 
      1  -0.104825D+02  0.939098D-01  0.535286D+00  0.200154D+01  0.135265D+01
      2   0.939098D-01  0.143298D+01  0.800121D-01  0.135265D+01 -0.373534D+00
      3   0.535286D+00  0.800121D-01  0.165782D+01 -0.700317D+00 -0.348981D+01
                51            52            53            54            55 
      1  -0.700317D+00 -0.111188D+02 -0.348699D+00 -0.334546D+00 -0.137823D+02
      2  -0.348981D+01 -0.348699D+00 -0.181867D+01 -0.115575D-01 -0.209907D+01
      3  -0.751504D+00 -0.334546D+00 -0.115575D-01 -0.117839D+01  0.440815D+00
                56            57            58            59            60 
      1  -0.209907D+01  0.440815D+00 -0.766009D+01 -0.700431D+01  0.465732D+00
      2  -0.287974D+01  0.380467D+00 -0.700431D+01 -0.480743D-01  0.153469D+01
      3   0.380467D+00 -0.200738D+01  0.465732D+00  0.153469D+01  0.296663D+01
                61            62            63            64            65 
      1   0.440930D+01  0.639166D+00 -0.389581D+01 -0.737610D+00  0.249484D+01
      2   0.639166D+00  0.208101D+01  0.397367D+01  0.249484D+01  0.353699D+01
      3  -0.389581D+01  0.397367D+01 -0.101932D+01  0.276248D+01 -0.889618D+00
                66            67            68            69            70 
      1   0.276248D+01  0.118508D+02  0.660351D+01 -0.190860D+01  0.712955D+00
      2  -0.889618D+00  0.660351D+01  0.107004D+01 -0.197752D+01 -0.125157D+01
      3   0.246792D+01 -0.190860D+01 -0.197752D+01 -0.350103D+01  0.366583D+01
                71            72            73            74            75 
      1  -0.125157D+01  0.366583D+01  0.512017D+01 -0.148673D+01 -0.249672D+01
      2  -0.246844D+01 -0.385815D+01 -0.148673D+01 -0.330792D+01  0.119828D+01
      3  -0.385815D+01  0.296298D+01 -0.249672D+01  0.119828D+01 -0.225698D+01
                76            77            78            79            80 
      1  -0.373957D+01 -0.547938D+01  0.154672D+01 -0.237521D+01  0.127464D+01
      2  -0.547938D+01 -0.214200D+01  0.307388D+01  0.127464D+01  0.276147D+01
      3   0.154672D+01  0.307388D+01  0.353771D+01 -0.373969D+01  0.377310D+01
                81            82            83            84            85 
      1  -0.373969D+01  0.565827D+01 -0.242024D+01 -0.187343D+01 -0.377894D+01
      2   0.377310D+01 -0.242024D+01 -0.322144D+01  0.826018D+00 -0.408350D+01
      3  -0.114438D+00 -0.187343D+01  0.826018D+00 -0.212797D+01  0.137072D+01
                86            87            88            89            90 
      1  -0.408350D+01  0.137072D+01 -0.158537D+01  0.116586D+01 -0.264132D+01
      2  -0.370147D+01  0.209021D+01  0.116586D+01  0.330267D+01  0.274527D+01
      3   0.209021D+01  0.307854D+01 -0.264132D+01  0.274527D+01 -0.302260D+01
                91            92            93            94            95 
      1   0.407074D+01  0.251457D+01 -0.216357D+00  0.739174D+00  0.636083D+01
      2   0.251457D+01  0.254121D+01  0.805923D+00  0.636083D+01 -0.213166D+01
      3  -0.216357D+00  0.805923D+00  0.997597D+00  0.606243D+00  0.153910D+01
                96            97            98            99           100 
      1   0.606243D+00  0.361664D+01  0.521808D+00  0.148838D+01  0.257598D+01
      2   0.153910D+01  0.521808D+00  0.341471D+01 -0.326663D+00 -0.111975D+01
      3  -0.192573D+00  0.148838D+01 -0.326663D+00 -0.471265D+01  0.205680D+01
               101           102           103           104           105 
      1  -0.111975D+01  0.205680D+01 -0.831874D+00 -0.159782D+01 -0.427816D+00
      2  -0.389109D+00 -0.666139D+00 -0.159782D+01  0.322341D+01 -0.188476D+01
      3  -0.666139D+00  0.821415D+00 -0.427816D+00 -0.188476D+01 -0.130437D+00
               106           107           108           109           110 
      1   0.293488D+01 -0.157905D+01  0.224970D+01 -0.479278D+01  0.924710D+00
      2  -0.157905D+01 -0.550613D+00 -0.152580D+01  0.924710D+00 -0.961843D+00
      3   0.224970D+01 -0.152580D+01  0.454679D+01 -0.391432D+01  0.482903D+00
               111           112           113           114           115 
      1  -0.391432D+01  0.724631D+00 -0.125123D+01  0.711567D+00 -0.829007D+01
      2   0.482903D+00 -0.125123D+01  0.329567D+00 -0.170351D+01  0.240162D+01
      3  -0.214810D+01  0.711567D+00 -0.170351D+01  0.896864D+00 -0.435479D+01
               116           117           118           119           120 
      1   0.240162D+01 -0.435479D+01  0.744470D+00  0.373781D+00  0.125203D+01
      2  -0.364225D+01  0.158085D+01  0.373781D+00  0.213233D+01 -0.217504D+00
      3   0.158085D+01 -0.923810D+01  0.125203D+01 -0.217504D+00  0.142827D+00
               121           122           123           124           125 
      1   0.972086D+00  0.159357D+01 -0.636800D+00  0.329125D+01 -0.203427D+01
      2   0.159357D+01 -0.358837D+01  0.302075D+01 -0.203427D+01  0.572414D+01
      3  -0.636800D+00  0.302075D+01  0.198463D+00 -0.458589D+00  0.187023D+01
               126           127           128           129           130 
      1  -0.458589D+00  0.327051D+01 -0.403485D+00  0.267344D+01 -0.106856D+01
      2   0.187023D+01 -0.403485D+00  0.429600D+00 -0.540362D+00  0.131114D+00
      3   0.315147D+01  0.267344D+01 -0.540362D+00  0.278127D+01 -0.536546D+00
               131           132           133           134           135 
      1   0.131114D+00 -0.536546D+00  0.286110D+01 -0.466302D+00  0.332709D+01
      2  -0.157173D+00  0.132519D+00 -0.466302D+00  0.871126D+00 -0.995765D+00
      3   0.132519D+00 -0.641696D+00  0.332709D+01 -0.995765D+00  0.650669D+01
               136           137           138           139           140 
      1  -0.219534D+01 -0.793042D-01  0.228101D+01  0.166357D+00  0.854418D-01
      2  -0.793042D-01 -0.161390D+00  0.616281D-01  0.854418D-01 -0.382952D-01
      3   0.228101D+01  0.616281D-01 -0.258824D+01 -0.907035D-01  0.227255D-01
               141           142           143           144           145 
      1  -0.907035D-01  0.220342D+01  0.250812D+00 -0.305372D+01 -0.379391D+01
      2   0.227255D-01  0.250812D+00  0.782564D+00 -0.531801D+00  0.599570D+00
      3  -0.268717D+00 -0.305372D+01 -0.531801D+00  0.832820D+01 -0.209783D+01
               146           147           148           149           150 
      1   0.599570D+00 -0.209783D+01  0.920913D+00 -0.173785D+00  0.440497D+00
      2  -0.495259D+00  0.231922D+00 -0.173785D+00  0.148158D+00 -0.136691D+00
      3   0.231922D+00 -0.194704D+01  0.440497D+00 -0.136691D+00  0.490086D+00
               151           152           153           154           155 
      1  -0.251388D+01  0.178435D+00 -0.282673D+01  0.226031D+01  0.467564D-01
      2   0.178435D+00 -0.741048D+00  0.403219D+00  0.467564D-01  0.180760D+00
      3  -0.282673D+01  0.403219D+00 -0.545459D+01 -0.213454D+01  0.171793D+00
               156           157           158           159           160 
      1  -0.213454D+01 -0.235002D+00 -0.567568D-01  0.119093D+00 -0.243379D+01
      2   0.171793D+00 -0.567568D-01 -0.463827D-01 -0.504987D-01 -0.901891D-01
      3   0.231131D+01  0.119093D+00 -0.504987D-01  0.162173D+00  0.300819D+01
               161           162           163           164           165 
      1  -0.901891D-01  0.300819D+01  0.247425D+01 -0.110198D+01 -0.133277D+01
      2  -0.735040D+00 -0.150697D+00 -0.110198D+01  0.136884D+01  0.531716D+00
      3  -0.150697D+00 -0.769198D+01 -0.133277D+01  0.531716D+00  0.719819D+00
               166           167           168           169           170 
      1  -0.155655D+01  0.237668D+01  0.941876D+00 -0.594293D+01  0.951252D+00
      2   0.237668D+01 -0.404923D+01 -0.226586D+01  0.951252D+00 -0.322770D+01
      3   0.941876D+00 -0.226586D+01 -0.185534D+01  0.237935D+01 -0.258864D+01
               171           172           173           174           175 
      1   0.237935D+01  0.253231D+01 -0.871302D+00  0.163316D+01 -0.179284D+00
      2  -0.258864D+01 -0.871302D+00  0.147687D+01 -0.709765D+00  0.159604D+01
      3  -0.293155D+01  0.163316D+01 -0.709765D+00  0.129127D+01 -0.556644D+00
               176           177           178           179           180 
      1   0.159604D+01 -0.556644D+00  0.446317D+01 -0.847323D+00  0.195374D+01
      2  -0.178791D+01  0.104341D+01 -0.847323D+00  0.204676D+01 -0.207822D+01
      3   0.104341D+01 -0.114949D+01  0.195374D+01 -0.207822D+01  0.345076D+01
               181           182           183           184           185 
      1  -0.175062D+01 -0.120906D+00 -0.160828D+01 -0.470086D+00 -0.925047D+00
      2  -0.120906D+00 -0.118475D+01  0.453706D+00 -0.925047D+00  0.134979D+01
      3  -0.160828D+01  0.453706D+00 -0.143842D+01  0.304863D+00 -0.102944D+01
               186           187           188           189           190 
      1   0.304863D+00 -0.274872D+01  0.189960D+00 -0.101909D+01  0.821064D+00
      2  -0.102944D+01  0.189960D+00 -0.136297D+01  0.178602D+01 -0.846076D+00
      3   0.197242D+01 -0.101909D+01  0.178602D+01 -0.515032D+01 -0.916045D+00
               191           192           193           194           195 
      1  -0.846076D+00 -0.916045D+00 -0.233415D+01  0.187222D+01  0.131663D+01
      2   0.749686D+00  0.394613D+00  0.187222D+01 -0.284424D+01 -0.246209D+01
      3   0.394613D+00  0.103068D+01  0.131663D+01 -0.246209D+01 -0.295091D+01
               196           197           198           199           200 
      1  -0.264400D+01  0.979887D+00  0.262081D+01  0.344135D+01 -0.779973D+00
      2   0.979887D+00 -0.262813D+01 -0.261211D+01 -0.779973D+00  0.111008D+01
      3   0.262081D+01 -0.261211D+01 -0.468669D+01  0.178248D+01 -0.602867D+00
               201           202           203           204           205 
      1   0.178248D+01 -0.174139D+01  0.165709D+01 -0.804153D+00  0.481866D+01
      2  -0.602867D+00  0.165709D+01 -0.108572D+01  0.623123D+00 -0.105541D+01
      3   0.169014D+01 -0.804153D+00  0.623123D+00 -0.144027D+01  0.263667D+01
               206           207           208           209           210 
      1  -0.105541D+01  0.263667D+01  0.413402D+01  0.261855D+01 -0.923310D+00
      2   0.130417D+01 -0.136242D+01  0.261855D+01  0.234667D+01 -0.779162D+00
      3  -0.136242D+01  0.360717D+01 -0.923310D+00 -0.779162D+00  0.933214D+00
               211           212           213           214           215 
      1   0.615456D+01  0.430064D+01 -0.165587D+01 -0.131483D+01 -0.996211D+00
      2   0.430064D+01  0.533951D+01 -0.158345D+01 -0.996211D+00 -0.133051D+01
      3  -0.165587D+01 -0.158345D+01  0.126136D+01  0.167965D+01  0.721276D+00
               216           217           218           219           220 
      1   0.167965D+01  0.133914D+01  0.183013D+00  0.174152D+01 -0.657227D+00
      2   0.721276D+00  0.183013D+00  0.102650D+01 -0.163582D-01  0.595388D+00
      3  -0.109017D+01  0.174152D+01 -0.163582D-01  0.230777D+01 -0.633737D+00
               221           222           223           224           225 
      1   0.595388D+00 -0.633737D+00  0.234656D+01  0.433179D-01  0.219239D+01
      2  -0.311455D+00  0.549411D+00  0.433179D-01  0.115722D+01 -0.175224D+00
      3   0.549411D+00 -0.181011D+01  0.219239D+01 -0.175224D+00  0.612482D+01
               226           227           228           229           230 
      1  -0.836458D+01  0.540942D+00  0.108205D+01  0.316503D+00 -0.111942D+01
      2   0.540942D+00 -0.202968D+01 -0.802477D+00 -0.111942D+01  0.118445D+01
      3   0.108205D+01 -0.802477D+00 -0.104578D+01 -0.501951D+00  0.820099D-01
               231           232           233           234           235 
      1  -0.501951D+00  0.112755D+01 -0.351741D+00 -0.475596D+00  0.216720D+01
      2   0.820099D-01 -0.351741D+00 -0.463068D-01  0.192452D+00  0.264687D+01
      3   0.121434D+00 -0.475596D+00  0.192452D+00  0.961449D+00  0.117713D+00
               236           237           238           239           240 
      1   0.264687D+01  0.117713D+00  0.291407D+01  0.382879D+01 -0.857590D-01
      2   0.326059D+01  0.523841D-01  0.382879D+01  0.850286D+01 -0.123541D+00
      3   0.523841D-01  0.786802D+00 -0.857590D-01 -0.123541D+00  0.791236D+00
               241           242           243           244           245 
      1  -0.886732D+00 -0.766198D+00  0.796814D+00  0.249058D+00 -0.426447D+00
      2  -0.766198D+00 -0.173854D+01  0.675083D+00 -0.426447D+00 -0.531325D+00
      3   0.796814D+00  0.675083D+00 -0.183518D+00  0.160667D+01 -0.111762D+00
               246           247           248           249           250 
      1   0.160667D+01 -0.457599D+00 -0.995776D+00 -0.104978D+00  0.298300D+01
      2  -0.111762D+00 -0.995776D+00  0.245731D+00  0.747389D+00 -0.551517D-01
      3  -0.118365D+01 -0.104978D+00  0.747389D+00  0.198246D-01 -0.202099D+01
               251           252           253           254           255 
      1  -0.551517D-01 -0.202099D+01  0.821870D+01 -0.829306D+00 -0.132124D+01
      2   0.119846D+01  0.385704D-01 -0.829306D+00 -0.379022D+01 -0.111289D+00
      3   0.385704D-01  0.627963D+01 -0.132124D+01 -0.111289D+00 -0.112333D+01
               256           257           258           259           260 
      1  -0.610617D+01 -0.441576D+01 -0.648059D+00 -0.439794D+01 -0.805993D+00
      2  -0.441576D+01  0.145723D+01 -0.257980D+01 -0.805993D+00 -0.357508D+01
      3  -0.648059D+00 -0.257980D+01  0.384937D+00 -0.133034D+01  0.112681D+01
               261           262           263           264           265 
      1  -0.133034D+01 -0.110759D+01  0.160497D+01  0.549429D-01  0.161461D+01
      2   0.112681D+01  0.160497D+01 -0.216726D+01  0.327269D-01 -0.281300D+01
      3   0.391278D+01  0.549429D-01  0.327269D-01 -0.300315D+00  0.164579D+00
               266           267           268           269           270 
      1  -0.281300D+01  0.164579D+00 -0.770957D+00  0.133650D+01 -0.447720D+00
      2   0.927998D+01 -0.339013D+00  0.133650D+01 -0.378914D+01  0.112283D+01
      3  -0.339013D+00  0.126122D+01 -0.447720D+00  0.112283D+01 -0.382630D+00
               271           272           273           274           275 
      1  -0.251647D+00  0.111334D+00 -0.575198D+00  0.535459D+00  0.255524D+00
      2   0.111334D+00  0.631458D+00  0.183191D+00  0.255524D+00 -0.532266D+00
      3  -0.575198D+00  0.183191D+00  0.379504D+00 -0.410228D-01 -0.543430D+00
               276           277           278           279           280 
      1  -0.410228D-01 -0.219949D+01 -0.561320D+00 -0.513605D+00 -0.151489D+02
      2  -0.543430D+00 -0.561320D+00 -0.178105D+01 -0.140560D+01 -0.207259D+01
      3  -0.741416D+00 -0.513605D+00 -0.140560D+01 -0.573058D+01  0.429503D+00
               281           282           283           284           285 
      1  -0.207259D+01  0.429503D+00  0.953573D+00 -0.893947D+00  0.604082D-01
      2  -0.155340D+01 -0.543724D-01 -0.893947D+00 -0.208510D+00  0.290031D+00
      3  -0.543724D-01 -0.980650D+00  0.604082D-01  0.290031D+00  0.878427D-01
               286           287           288           289           290 
      1   0.174325D+01  0.373060D+00 -0.121835D+01 -0.136805D-01 -0.658356D+00
      2   0.373060D+00  0.614876D+00 -0.289830D+00 -0.658356D+00  0.213578D+01
      3  -0.121835D+01 -0.289830D+00 -0.115611D-01  0.496929D+00 -0.268846D+00
               291           292           293           294           295 
      1   0.496929D+00 -0.118296D+01 -0.445373D-01 -0.358720D-02  0.138605D+01
      2  -0.268846D+00 -0.445373D-01 -0.719407D+01  0.165335D+01  0.365970D+00
      3   0.460802D+00 -0.358720D-02  0.165335D+01 -0.133399D+01  0.172586D-01
               296           297 
      1   0.365970D+00  0.172586D-01
      2   0.302039D+01 -0.149646D+01
      3  -0.149646D+01  0.808961D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.263308D+01  0.252485D+01  0.238461D+01  0.918072D+01  0.158342D+01
      2   0.574473D+01 -0.157617D+01  0.323151D+01 -0.193871D+01 -0.827623D+00
      3   0.136959D+02 -0.187444D+01 -0.731651D+00  0.105473D+02  0.139648D+00
                 6             7             8             9            10 
      1  -0.215182D+01 -0.919270D+00  0.314121D+01  0.418104D+00 -0.417314D+01
      2  -0.206223D+00 -0.901681D+01  0.398489D+00 -0.381510D+00 -0.151803D+02
      3  -0.497319D+01 -0.135097D+02 -0.235485D+01  0.964916D+00 -0.284396D+02
                11            12            13            14            15 
      1  -0.703886D+00  0.170055D+01  0.160337D+01  0.418676D+00 -0.102822D+02
      2   0.252302D-01 -0.297557D+01  0.231783D+01 -0.202246D+01 -0.173636D+00
      3  -0.101652D+00  0.598153D+00  0.108576D+02 -0.199865D+01  0.160076D+00
                16            17            18            19            20 
      1  -0.339453D+01 -0.360473D+01 -0.705773D+00 -0.288613D+01 -0.132308D+01
      2  -0.247547D+02 -0.290534D+01 -0.345920D+01 -0.738677D+01  0.239807D+00
      3   0.260331D+01  0.505031D+00 -0.628459D-01 -0.123294D+02  0.509866D+00
                21            22            23            24            25 
      1  -0.137354D+01 -0.568877D+01  0.236177D+01  0.751348D+00 -0.203453D+00
      2   0.777649D+01 -0.153798D+01  0.653150D+00 -0.131929D+01 -0.108022D+02
      3  -0.185321D+00  0.115044D+02  0.600431D+00  0.342310D+01 -0.115086D+02
                26            27            28            29            30 
      1   0.395596D+01  0.124411D+01  0.174898D+01 -0.285296D+00 -0.275795D+01
      2   0.664102D+00  0.190240D+01  0.113398D+02  0.104761D+01 -0.394413D+01
      3   0.408957D+01 -0.168219D+01  0.245578D+02 -0.208057D+00 -0.984175D+00
                31            32            33            34            35 
      1  -0.319690D+01  0.146136D+01 -0.101971D+02 -0.458601D+01 -0.274213D+01
      2  -0.354518D+00  0.295284D+01  0.134586D+01 -0.269809D+02  0.130628D+01
      3   0.746397D+01  0.409716D+01 -0.393204D+00 -0.500910D+00 -0.376895D+01
                36            37            38            39            40 
      1  -0.173799D+00 -0.127416D+01  0.123217D+01 -0.152564D+01  0.704080D+01
      2  -0.343578D+00 -0.104191D+02 -0.147922D+01  0.541195D+01 -0.921048D+00
      3   0.350742D+01 -0.921294D+01 -0.640747D+00  0.158570D+01  0.131002D+02
                41            42            43            44            45 
      1  -0.240966D+01 -0.298229D+01  0.299786D+01  0.206677D+01 -0.133741D+01
      2  -0.160269D+01  0.278040D+00  0.493063D+01  0.202396D+00 -0.373975D+01
      3   0.270073D+00 -0.386663D+01  0.133424D+02 -0.214402D+01 -0.183646D+01
                46            47            48            49            50 
      1   0.294951D+01 -0.157290D+01  0.181216D+01 -0.691129D+01 -0.190562D+01
      2   0.120842D+02  0.368241D+00  0.104879D+02 -0.132126D+01  0.811796D+00
      3   0.143572D+02 -0.804161D+00  0.790329D+00  0.121728D+02 -0.701331D+00
                51            52            53            54            55 
      1  -0.221491D+01  0.149351D+01  0.301907D+01 -0.472961D+00  0.334386D+01
      2  -0.200249D+01  0.333763D+01 -0.801380D-01  0.566210D+01  0.238131D+01
      3   0.373847D+01  0.119611D+02  0.125402D+01  0.966245D+00  0.146621D+02
                56            57            58            59            60 
      1   0.179065D+01 -0.110422D+01  0.496433D+01  0.417173D+01  0.180077D+01
      2   0.315721D+00 -0.401723D+01  0.124701D+01  0.582009D+01  0.133786D+02
      3   0.734413D+01 -0.957444D+00  0.362065D+02  0.783852D+01 -0.507855D+01
                61            62            63            64            65 
      1  -0.165813D+01  0.655316D+01 -0.173463D+01 -0.449483D+01 -0.107321D+01
      2  -0.229073D+02  0.144715D+02 -0.590238D+01  0.824362D+01 -0.281991D+01
      3  -0.726357D+01 -0.657001D+01 -0.959301D+01 -0.171678D+02 -0.182593D+02
                66            67            68            69            70 
      1  -0.150928D+01 -0.247118D+01 -0.720514D+00  0.293364D+00  0.185509D+01
      2   0.145265D+02 -0.749515D+01 -0.668080D+01 -0.176093D+02  0.116820D+02
      3   0.502767D+01 -0.283365D+02 -0.502634D+01  0.618109D+01  0.954359D+01
                71            72            73            74            75 
      1   0.714193D+01 -0.381488D+00  0.166712D+01  0.201801D+01 -0.473181D+00
      2  -0.168125D+02  0.155771D+02 -0.906206D+01  0.546437D+01 -0.136280D+02
      3   0.908239D+01  0.163568D+02  0.876878D+01  0.169129D+02 -0.701342D+01
                76            77            78            79            80 
      1   0.375279D+01  0.838946D+00 -0.495332D+01 -0.113114D+00 -0.164650D+01
      2   0.648445D+01  0.135038D+02  0.224384D+02 -0.277027D+02  0.221050D+02
      3   0.351250D+02  0.107462D+02 -0.174457D+02 -0.695291D+01 -0.152267D+02
                81            82            83            84            85 
      1  -0.241432D+01  0.304305D+01 -0.453988D+01  0.490583D+01 -0.607981D+01
      2  -0.188641D+01 -0.140847D+02  0.643766D+01 -0.300065D+01  0.841855D+01
      3  -0.213584D+02  0.215338D+02  0.507611D+01 -0.751391D+01  0.128976D+02
                86            87            88            89            90 
      1  -0.992365D+01 -0.683205D+01  0.608176D+01 -0.914082D+00  0.872081D+01
      2   0.104606D+02  0.100346D+02 -0.869674D+01  0.884271D+01 -0.975031D+01
      3   0.735747D+01 -0.598328D+01 -0.873296D+01 -0.986183D+01 -0.132728D+02
                91            92            93            94            95 
      1   0.682192D+00  0.938652D+00  0.188873D+01  0.169387D+01 -0.866589D+00
      2  -0.439758D+01 -0.343779D+01  0.516266D+00  0.587277D+00 -0.933435D+01
      3  -0.272210D+00  0.289838D+01  0.271092D+01  0.324397D+02 -0.110889D+02
                96            97            98            99           100 
      1  -0.316751D+01  0.225185D+01  0.486387D+01 -0.164165D+01 -0.712474D+00
      2   0.115238D+00 -0.160286D+02  0.181370D+01  0.167025D+02  0.519026D+01
      3   0.561046D+01 -0.252355D+01  0.103471D+02 -0.242763D+01  0.114977D+02
               101           102           103           104           105 
      1  -0.615780D+01 -0.333797D+01 -0.184543D+01  0.281423D+00  0.107150D+01
      2   0.206419D+00  0.405721D+01 -0.233511D+01  0.836849D+01  0.576476D+01
      3  -0.158638D+02 -0.166733D+01 -0.936281D+01  0.450426D+01 -0.367580D+01
               106           107           108           109           110 
      1  -0.631647D+01 -0.108202D+01 -0.436190D+01  0.412998D+01  0.362903D+01
      2  -0.630352D+01  0.615191D+01 -0.239260D+02  0.893457D+01 -0.127507D+01
      3  -0.583242D+01  0.641485D+01 -0.405253D+01 -0.344100D+01 -0.332369D+01
               111           112           113           114           115 
      1   0.281537D+01  0.652477D+00  0.559639D+00 -0.341519D+01  0.349638D+01
      2   0.873156D+01  0.148674D+00  0.584785D+01 -0.522550D+01  0.741188D+01
      3  -0.844730D+00 -0.101424D+01  0.297077D+01 -0.620830D+01  0.991837D+01
               116           117           118           119           120 
      1   0.850507D+01  0.109931D+02 -0.346346D+01  0.219541D+01 -0.521545D+00
      2  -0.457440D+01  0.364310D+02 -0.570482D+01  0.146251D+01  0.997099D+00
      3  -0.173218D+02  0.434583D+01  0.381644D+00  0.739128D+01  0.166128D+01
               121           122           123           124           125 
      1   0.407435D+00 -0.443293D+01 -0.369951D+01 -0.210309D+01  0.598020D+01
      2  -0.513947D+00 -0.107030D+02 -0.171567D+01 -0.198468D+01 -0.537618D+01
      3   0.747866D+01 -0.754140D+01  0.948076D+01 -0.387829D+01  0.171145D+02
               126           127           128           129           130 
      1  -0.825199D+01  0.211629D+01  0.195248D+01  0.190502D+01 -0.914464D+00
      2  -0.107128D+02 -0.580336D+01 -0.105967D+00 -0.894413D+00  0.140871D+01
      3   0.643390D+01 -0.307377D+01 -0.143570D+01 -0.182037D+01  0.257289D+01
               131           132           133           134           135 
      1  -0.755330D-01 -0.217118D+01  0.262417D+01  0.289595D+01  0.473405D+01
      2  -0.102129D+00 -0.143227D+00 -0.415118D+01 -0.127497D+00  0.145776D+01
      3   0.222742D+00  0.321774D+00 -0.265497D+01 -0.193439D+01 -0.196825D+01
               136           137           138           139           140 
      1   0.175507D+01 -0.160936D+01 -0.201610D+01  0.447777D+00  0.973206D-01
      2   0.477662D+01  0.389788D-01 -0.128153D+01 -0.473994D+00 -0.787017D-01
      3   0.153993D+01 -0.759871D+00 -0.161465D+01  0.117111D+01 -0.355630D-01
               141           142           143           144           145 
      1  -0.217254D+01 -0.190567D+01  0.381465D+01  0.516199D+01 -0.268906D+01
      2   0.463455D+00 -0.482674D+01 -0.190117D+00 -0.102317D+01 -0.818270D+01
      3  -0.962920D-01 -0.141746D+01  0.165492D+01  0.193689D+01  0.264088D+01
               146           147           148           149           150 
      1   0.262659D+01 -0.145973D+01  0.575089D+00 -0.519406D+00 -0.114790D+01
      2   0.131863D+01 -0.125839D+01  0.130879D+01 -0.248066D+00  0.338033D+00
      3  -0.158018D+01  0.144851D+01  0.540706D+00  0.433238D+00 -0.174889D+00
               151           152           153           154           155 
      1  -0.181725D+01  0.344361D+01 -0.333651D+01 -0.202288D+01 -0.151348D+01
      2  -0.395300D+01  0.854675D-01  0.131922D+01  0.475346D+01  0.429268D+00
      3   0.151844D+01 -0.225715D+01  0.196998D+01 -0.137940D+01 -0.787513D+00
               156           157           158           159           160 
      1   0.135280D+01  0.240170D+00 -0.858546D-01 -0.192956D+01  0.261399D+01
      2  -0.766724D+00 -0.165809D+00 -0.260396D+00 -0.625407D-01 -0.447195D+01
      3   0.123115D+01  0.166800D+01  0.221360D+00 -0.896319D-01  0.192196D+01
               161           162           163           164           165 
      1   0.379130D+01 -0.523163D+01 -0.965705D+00 -0.140672D+00  0.136453D+01
      2  -0.349706D+00 -0.234814D+01 -0.487931D+01  0.150857D+01  0.427054D+01
      3   0.190179D+01 -0.174120D+01 -0.151337D+00 -0.444800D+01 -0.158032D+00
               166           167           168           169           170 
      1   0.564483D+00 -0.119835D+01 -0.358250D+01  0.265037D+01 -0.831425D+00
      2   0.239456D+01 -0.800417D+01 -0.716341D+01  0.592230D+01 -0.958560D+01
      3  -0.326705D+01  0.101453D+02  0.529044D+01  0.383403D+01  0.966335D+01
               171           172           173           174           175 
      1  -0.385218D+01  0.168265D+01 -0.184877D+00  0.191652D+01 -0.129179D+01
      2  -0.960338D+01  0.610907D+01 -0.255768D+01  0.631979D+01 -0.150513D+01
      3   0.533030D+01 -0.303310D+00 -0.522830D+01  0.718321D+00 -0.231609D+01
               176           177           178           179           180 
      1   0.803333D+00 -0.312960D+01  0.199215D+01 -0.441626D+00  0.502401D+01
      2   0.309969D+01 -0.455390D+01  0.285905D+01 -0.747467D+01  0.128354D+02
      3   0.390275D+01 -0.206730D+01 -0.267011D+01 -0.629564D+01  0.416132D+01
               181           182           183           184           185 
      1   0.253062D+01  0.149468D+01  0.143119D+01  0.556368D+00 -0.548580D+00
      2  -0.103322D+02  0.155271D+01 -0.648426D+01  0.125532D+01 -0.475303D+01
      3  -0.219371D+01  0.355043D+01 -0.278254D+01  0.574057D+01 -0.529979D+01
               186           187           188           189           190 
      1  -0.207958D+01  0.149205D+01  0.185390D+01  0.298119D+01  0.113221D+01
      2   0.737652D+01 -0.100022D+02  0.687582D+01 -0.208147D+02 -0.454445D+01
      3   0.420667D+01 -0.319033D+01  0.483347D+01 -0.831972D+01  0.456750D+01
               191           192           193           194           195 
      1  -0.994813D+00 -0.263081D+00 -0.150685D+01  0.390872D+01  0.951172D+00
      2   0.158843D+01  0.577184D+01  0.379317D+01 -0.120191D+02 -0.161317D+02
      3  -0.512771D+01 -0.255649D+01 -0.769092D+01  0.159374D+02  0.131509D+02
               196           197           198           199           200 
      1  -0.113829D+01  0.483480D+01  0.210774D+01  0.142207D+00 -0.182336D-02
      2   0.944338D+01 -0.138682D+02 -0.237647D+02  0.120084D+02 -0.403109D+01
      3  -0.435351D+01  0.150541D+02  0.142692D+02  0.469746D+01 -0.754271D+01
               201           202           203           204           205 
      1   0.541401D+00 -0.694331D+00 -0.894484D-01 -0.117717D+01 -0.241420D-01
      2   0.123141D+02 -0.507290D+01  0.445247D+01 -0.945799D+01  0.146160D+02
      3   0.365434D+01 -0.737433D+01  0.641908D+01 -0.338704D+01  0.567101D+01
               206           207           208           209           210 
      1   0.155809D+01  0.721818D+00 -0.186324D+01 -0.197004D+01 -0.580257D+00
      2  -0.838780D+01  0.230331D+02 -0.169055D+01 -0.234861D+01  0.655251D+01
      3  -0.839827D+01  0.784047D+01 -0.123385D+02 -0.143948D+02  0.423172D+01
               211           212           213           214           215 
      1  -0.233026D+01 -0.430287D+01 -0.147913D+01  0.192334D-01  0.177376D+01
      2  -0.428246D+01 -0.572299D+01  0.697826D+01  0.697118D+01  0.288761D+01
      3  -0.190891D+02 -0.297451D+02  0.817239D+01  0.486335D+01  0.759262D+01
               216           217           218           219           220 
      1   0.377698D+00 -0.337870D+01  0.188787D+01 -0.433911D+01  0.148947D+01
      2  -0.487922D+01  0.481006D+01  0.134037D+00  0.795679D+01 -0.710658D+00
      3  -0.329113D+01  0.472154D+00 -0.462786D+01  0.222448D+01 -0.183718D+01
               221           222           223           224           225 
      1  -0.211957D+01  0.281031D+01 -0.412364D+01  0.460966D+01 -0.118567D+02
      2   0.147694D+01 -0.691023D+01  0.229219D+01 -0.751635D+00  0.204281D+02
      3   0.254777D+01 -0.249109D+01  0.317860D+01 -0.520461D+01  0.338213D+01
               226           227           228           229           230 
      1  -0.342612D+01 -0.100181D+01  0.233357D+01 -0.403037D+00  0.427712D+00
      2   0.143757D+02 -0.284165D+01 -0.318982D+01 -0.185598D+01  0.155377D+01
      3  -0.214074D+02  0.574098D+01  0.491841D+01  0.612793D+01 -0.481791D+01
               231           232           233           234           235 
      1  -0.480640D+00  0.239263D+01  0.141563D+01 -0.163914D+01  0.173202D+01
      2  -0.724168D-01 -0.579321D+01  0.430202D+00  0.314928D+01 -0.111341D+01
      3  -0.114158D+01  0.390205D+01 -0.813042D-01 -0.184548D+01 -0.580237D+01
               236           237           238           239           240 
      1   0.292022D+01 -0.296766D+01  0.423744D+01  0.739194D+01 -0.451448D+01
      2  -0.165211D+01  0.404508D+01 -0.306806D+01 -0.354126D+01  0.412859D+01
      3  -0.962861D+01 -0.182557D+00 -0.556890D+01 -0.262952D+02 -0.515846D-02
               241           242           243           244           245 
      1  -0.205370D+01 -0.137834D+01  0.130606D+01  0.391916D+00 -0.637448D+00
      2   0.245161D+01  0.267083D+01 -0.105663D+01 -0.642937D+01  0.555976D+00
      3   0.148391D+01  0.573121D+01 -0.119239D+01 -0.100314D+01 -0.230897D+01
               246           247           248           249           250 
      1  -0.720049D+00 -0.385678D+00  0.761009D+00 -0.334263D+00 -0.119207D+01
      2   0.385493D+01  0.313151D+00 -0.152811D+01 -0.190611D-01  0.110282D+01
      3  -0.105533D+01 -0.135312D+01  0.100767D+01  0.205629D+01 -0.123869D+01
               251           252           253           254           255 
      1   0.336013D+01  0.237349D+01 -0.176744D+01  0.518009D+00 -0.300008D+01
      2  -0.246839D+00 -0.197256D+02  0.950628D+01  0.147963D+01  0.727569D+01
      3   0.342232D+01  0.162528D+01 -0.196074D+02 -0.163459D+02  0.171658D+01
               256           257           258           259           260 
      1  -0.144269D+01 -0.621184D+01  0.686470D+00 -0.807831D+00  0.557211D+01
      2   0.447609D+01  0.108691D+02 -0.322788D+01  0.494872D+01 -0.500720D+01
      3  -0.872527D+01  0.129611D+02 -0.964836D+01  0.123721D+01 -0.122555D+02
               261           262           263           264           265 
      1   0.825022D+01  0.878954D+00 -0.114127D+01  0.106651D+01 -0.245125D+01
      2  -0.184984D+02  0.220855D+00 -0.748975D+00  0.913945D+00 -0.972372D+00
      3   0.601759D+01  0.330576D+01 -0.505040D+01 -0.628756D+00 -0.436923D+01
               266           267           268           269           270 
      1   0.710631D+01 -0.401100D+01  0.116438D+01 -0.275423D+01  0.253006D+01
      2   0.268062D+01 -0.445575D+01  0.110381D+01 -0.402539D+01  0.183248D+01
      3   0.279825D+02 -0.785580D+00  0.274766D+01 -0.120961D+02  0.333550D+01
               271           272           273           274           275 
      1  -0.171664D+01 -0.487119D+00  0.959715D+00 -0.208236D+00 -0.140235D+01
      2   0.471026D+01 -0.399028D+00 -0.218740D+01  0.982535D+00  0.226157D+01
      3  -0.135932D-01  0.159410D+01  0.148057D+01  0.116145D+01 -0.217430D+01
               276           277           278           279           280 
      1  -0.184173D+01  0.127695D+00  0.819438D+00 -0.116833D+02  0.834805D+00
      2   0.276568D+01 -0.254169D+01  0.511090D+01  0.235791D+02 -0.341001D+01
      3  -0.181759D+01  0.195506D+01 -0.556906D+01 -0.470875D+01  0.161075D+02
               281           282           283           284           285 
      1   0.849998D-01 -0.234254D+01  0.335226D+00  0.693282D+00 -0.490658D+00
      2   0.238380D+00  0.760586D+01 -0.686266D+00 -0.132150D+01  0.213852D+00
      3  -0.658526D+01 -0.119683D+01 -0.351767D+01  0.586573D+00  0.115587D+01
               286           287           288           289           290 
      1  -0.207481D+01  0.306447D+00 -0.281637D+00  0.143946D+01 -0.474869D+00
      2   0.392419D+01  0.947624D+00  0.384085D+00 -0.227473D+01  0.855621D+00
      3  -0.127467D+01  0.207666D+01  0.650447D+00 -0.429325D+01  0.811528D+01
               291           292           293           294           295 
      1   0.191342D+01 -0.213555D+00  0.395161D+01 -0.523134D+01  0.822315D+00
      2  -0.168525D+01  0.752376D-01 -0.606235D+01  0.483046D+01 -0.205176D+01
      3  -0.209990D+01  0.501858D+01 -0.265206D+02  0.667207D+01 -0.217947D+01
               296           297 
      1  -0.208748D+01  0.240793D+01
      2   0.515175D+01 -0.276893D+01
      3   0.106023D+02 -0.574143D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.767849D+01  0.318574D+01 -0.283424D+02  0.742637D+01 -0.130407D+02
      2   0.486218D+01 -0.381565D+01  0.815086D+01 -0.719541D+01  0.132535D+02
      3   0.281631D+01  0.629907D+00  0.201915D+02 -0.230956D+00 -0.212846D+00
      4   0.555252D+01  0.326310D+01  0.341114D+01  0.109133D+02 -0.326102D+01
      5  -0.127078D+02  0.340324D+01 -0.603189D+01  0.396852D+01  0.653960D+01
      6   0.290688D+01  0.533217D+01 -0.388233D+01  0.445598D+01 -0.101748D+02
                 6             7             8             9            10 
      1   0.103726D+02  0.369267D+02  0.369188D+01  0.701253D+01  0.474160D+02
      2  -0.115891D+02 -0.331502D+01 -0.667459D+01  0.319209D+01 -0.196674D+02
      3   0.121656D+01 -0.336116D+02  0.298271D+01 -0.102046D+02 -0.277486D+02
      4   0.600551D+01 -0.354833D+01  0.511338D+01  0.266382D+01 -0.121386D+02
      5   0.251060D+01  0.216406D+01  0.181342D+01 -0.893971D+01 -0.104412D+02
      6   0.142506D+02  0.457429D+01  0.541165D+01  0.259697D+01  0.639608D+01
                11            12            13            14            15 
      1   0.708358D+01 -0.484035D+01  0.732470D+01  0.104268D+01  0.843306D+00
      2  -0.618451D+01  0.914810D+00 -0.123939D+02  0.919529D+01  0.124479D+01
      3  -0.899074D+00  0.392554D+01  0.506921D+01 -0.102380D+02 -0.208809D+01
      4  -0.742570D+00  0.116664D+00  0.216161D+02 -0.558057D+01 -0.114327D+01
      5  -0.648431D+00  0.964976D+01  0.447141D+01 -0.355053D+00 -0.308794D+01
      6   0.132770D+01 -0.796858D+01  0.979790D+00  0.195876D+01  0.603203D+01
                16            17            18            19            20 
      1  -0.960398D+01 -0.127520D+01 -0.194412D+02  0.643474D+01 -0.681373D+01
      2  -0.107729D+01  0.356768D+01 -0.132185D+01 -0.172013D+00  0.579658D+01
      3   0.106813D+02 -0.229248D+01  0.207631D+02 -0.626273D+01  0.101715D+01
      4   0.161362D+01 -0.163362D+01 -0.336229D+01 -0.438273D+01 -0.528112D+00
      5  -0.176362D+02 -0.323156D+01  0.589094D+00  0.119502D+02 -0.245486D+00
      6  -0.645565D+00 -0.426996D+01 -0.177815D+01 -0.197286D+01 -0.646832D+01
                21            22            23            24            25 
      1   0.280235D+02 -0.541705D+00 -0.121347D+02 -0.117226D+01 -0.212939D+02
      2  -0.117672D+02  0.226205D+01  0.891144D+01 -0.697269D+01 -0.287186D+01
      3  -0.162563D+02 -0.172034D+01  0.322324D+01  0.814495D+01  0.241657D+02
      4   0.113032D+01  0.130802D+02  0.357445D+01 -0.550248D+01 -0.504594D+01
      5  -0.119536D+02 -0.429591D+01 -0.486353D+01  0.203059D+01  0.673457D+01
      6   0.855101D+01 -0.444776D+01 -0.632634D+01  0.160360D+02 -0.244555D+01
                26            27            28            29            30 
      1   0.119808D+01  0.892384D+01  0.180028D+02 -0.759863D+00  0.276442D+01
      2  -0.365229D+01  0.542125D+01 -0.201721D+01  0.467559D+01  0.183006D+01
      3   0.245421D+01 -0.143451D+02 -0.159856D+02 -0.391572D+01 -0.459447D+01
      4  -0.655505D+01 -0.323032D+00  0.233196D+02  0.170849D+01  0.644777D-01
      5  -0.463589D+00  0.928152D+01  0.248774D+00  0.224376D-01  0.802823D+01
      6   0.763464D+01  0.214982D+00 -0.612035D+00 -0.284262D+01  0.396311D+01
                31            32            33            34            35 
      1  -0.277591D+01  0.156728D+01  0.143034D+01 -0.384138D+01  0.357529D+01
      2   0.516818D+01  0.694365D+01 -0.905215D+00 -0.710986D+00  0.771290D+00
      3  -0.239227D+01 -0.851093D+01 -0.525126D+00  0.455237D+01 -0.434658D+01
      4   0.196260D+02  0.240764D+01  0.194377D+01  0.684714D+00  0.580427D+01
      5   0.859866D+00  0.137069D+01 -0.337079D+00 -0.217185D+02 -0.260249D+00
      6  -0.342999D+01  0.878486D+00  0.326228D+01  0.125495D+01 -0.449045D+01
                36            37            38            39            40 
      1  -0.238261D+02  0.808117D+00 -0.140042D+01 -0.281097D+02 -0.264960D+01
      2   0.280234D+00 -0.712066D+00  0.288259D+01  0.106750D+02  0.137167D+01
      3   0.235458D+02 -0.960512D-01 -0.148217D+01  0.174347D+02  0.127792D+01
      4  -0.299370D+01 -0.116027D+01  0.162883D+01  0.547372D+00  0.562497D+01
      5  -0.462727D+00 -0.210531D+02  0.148663D+01 -0.141458D+01  0.258481D+01
      6  -0.367868D+01  0.491611D+01  0.604099D+01  0.541931D+01  0.647812D+01
                41            42            43            44            45 
      1  -0.895716D+01 -0.113253D+01  0.250281D+02 -0.417221D+01  0.117366D+02
      2   0.938628D+01  0.275129D+01  0.256106D+01  0.158457D+01  0.768190D+00
      3  -0.429118D+00 -0.161876D+01 -0.275891D+02  0.258763D+01 -0.125047D+02
      4   0.187440D+01  0.657585D+01  0.626338D+01  0.555425D+01  0.242564D+01
      5   0.403213D+01  0.211460D+01  0.140606D+02  0.684484D+00 -0.888658D+01
      6   0.337097D+01  0.994260D+01  0.394138D+00  0.501733D+01  0.519744D+01
                46            47            48            49            50 
      1  -0.244678D+01 -0.231201D+01  0.248502D+02  0.546840D+01 -0.114695D+02
      2   0.618879D+01 -0.195079D+00 -0.906790D+01 -0.259350D+01  0.106154D+02
      3  -0.374201D+01  0.250708D+01 -0.157823D+02 -0.287489D+01  0.854138D+00
      4   0.319607D+01  0.101685D+01 -0.195809D+01  0.369864D+01  0.136000D+00
      5   0.234786D+02 -0.162184D+01 -0.663319D+01 -0.592909D+01 -0.364678D+01
      6  -0.462305D+01 -0.352089D+01 -0.312326D+00 -0.335432D+01  0.741123D+01
                51            52            53            54            55 
      1  -0.121273D+02 -0.280036D+02 -0.478598D+01  0.108420D+02 -0.327296D+02
      2   0.875820D+01  0.344572D+01  0.493324D+01  0.642428D+01  0.156215D+02
      3   0.336914D+01  0.245579D+02 -0.147264D+00 -0.172663D+02  0.171081D+02
      4  -0.504346D+01  0.450149D+01 -0.388479D+01 -0.148950D+00 -0.105489D+01
      5   0.264848D+00  0.114834D+02  0.150733D+00  0.864562D+01  0.155832D+01
      6   0.138679D+02 -0.209547D+01  0.662981D+01  0.286586D+01 -0.518587D+01
                56            57            58            59            60 
      1  -0.922875D+01 -0.228358D+01 -0.469206D+02 -0.277332D+02  0.878980D+01
      2   0.548429D+01  0.141613D+01  0.258738D+02  0.124402D+02 -0.612656D+01
      3   0.374446D+01  0.867453D+00  0.210468D+02  0.152929D+02 -0.266323D+01
      4  -0.199645D+02  0.208553D+01 -0.476149D+02  0.583822D+01  0.110896D+02
      5   0.283348D+01 -0.155674D+02  0.671720D+01  0.117212D+02  0.223267D+02
      6  -0.112622D+01  0.494439D+01  0.293177D+01 -0.682272D+01 -0.101011D+02
                61            62            63            64            65 
      1   0.770770D+01  0.830660D+01 -0.122101D+02 -0.434383D+02  0.110191D+02
      2  -0.529984D+00 -0.439363D+01  0.334002D+01  0.284988D+02 -0.529810D+01
      3  -0.717771D+01 -0.391297D+01  0.887010D+01  0.149395D+02 -0.572103D+01
      4   0.270536D+01  0.137363D+02  0.331595D+02  0.135229D+02  0.264129D+02
      5  -0.309244D+02  0.295686D+02 -0.923195D+01  0.285153D+02 -0.590901D+01
      6   0.140164D+02 -0.114399D+02 -0.694452D+00  0.576701D+01  0.213754D+00
                66            67            68            69            70 
      1   0.297991D+02  0.511980D+02  0.443099D+02 -0.108542D+02  0.293824D+02
      2  -0.147884D+02 -0.211959D+02 -0.193134D+02  0.273550D+01 -0.147261D+02
      3  -0.150106D+02 -0.300022D+02 -0.249964D+02  0.811865D+01 -0.146563D+02
      4  -0.394916D+01  0.469229D+02  0.601113D+01 -0.150501D+02 -0.808249D+01
      5   0.159182D+02 -0.174027D+02 -0.172787D+02 -0.286973D+02  0.298369D+02
      6   0.642942D+01 -0.340253D+01 -0.259690D+01 -0.685333D+01  0.103680D+01
                71            72            73            74            75 
      1  -0.679250D+01  0.380122D+02  0.537220D+02 -0.130591D+02 -0.313948D+02
      2  -0.408909D+01 -0.193093D+02 -0.313988D+02  0.388440D+01  0.148004D+02
      3   0.108816D+02 -0.187029D+02 -0.223232D+02  0.917471D+01  0.165944D+02
      4  -0.169899D+02 -0.269799D+02 -0.181047D+02 -0.368506D+02  0.131516D+02
      5  -0.291209D+02  0.197828D+02 -0.285780D+02  0.145984D+02 -0.242651D+02
      6  -0.541986D+01  0.685484D+01  0.229789D+01  0.652576D+01 -0.894270D+00
                76            77            78            79            80 
      1  -0.264434D+02 -0.457291D+02  0.202292D+02 -0.336224D+02  0.174944D+02
      2   0.673730D+01  0.233971D+02 -0.192038D+01  0.150609D+02 -0.103857D+01
      3   0.197061D+02  0.223320D+02 -0.183088D+02  0.185615D+02 -0.164558D+02
      4  -0.590304D+02 -0.245355D+02  0.322699D+02  0.156004D+02  0.277619D+02
      5   0.204603D+02  0.352161D+02  0.387726D+02 -0.413749D+02  0.394766D+02
      6   0.111042D+02  0.484285D+01 -0.623203D+01  0.565839D+00 -0.566471D+01
                81            82            83            84            85 
      1  -0.383630D+02  0.507718D+02 -0.892392D+01 -0.131159D+02 -0.134169D+02
      2   0.235321D+02 -0.332459D+02 -0.799894D+01  0.159910D+02 -0.106407D+02
      3   0.148309D+02 -0.175259D+02  0.169229D+02 -0.287505D+01  0.240575D+02
      4   0.380775D+02 -0.516651D+01 -0.285740D+02  0.186616D+01 -0.362691D+02
      5  -0.111716D+01 -0.103588D+02  0.444618D+01 -0.175734D+02  0.788305D+01
      6  -0.619149D+01 -0.539544D+01 -0.623612D-01 -0.553280D+01  0.947931D+00
                86            87            88            89            90 
      1  -0.241269D+02 -0.190153D+01 -0.137063D+02 -0.238600D+01 -0.240523D+02
      2  -0.684408D+01 -0.126241D+00  0.176311D+02  0.504722D+01  0.281682D+02
      3   0.309710D+02  0.202777D+01 -0.392483D+01 -0.266121D+01 -0.411588D+01
      4  -0.362651D+02  0.154591D+02  0.361051D+01  0.253576D+02  0.149368D+02
      5   0.125929D+02  0.255714D+02 -0.246732D+02  0.218056D+02 -0.280977D+02
      6   0.675235D+01  0.108181D+02 -0.363040D+01  0.930525D+01 -0.240416D+01
                91            92            93            94            95 
      1   0.116374D+02 -0.402659D+01  0.279900D+00 -0.150459D+02 -0.199844D+02
      2  -0.110744D+02 -0.397926D+01 -0.297135D+01  0.294703D+01  0.367736D+01
      3  -0.563000D+00  0.800586D+01  0.269144D+01  0.120989D+02  0.163070D+02
      4  -0.210554D+02 -0.204498D+02 -0.583564D+01 -0.479741D+02  0.603009D+01
      5  -0.158862D+01 -0.485838D+01 -0.683633D+01 -0.487572D+01 -0.115880D+02
      6  -0.245538D+01 -0.115874D+01 -0.321273D+01 -0.420163D+01 -0.282498D+01
                96            97            98            99           100 
      1  -0.194441D+01 -0.115423D+02 -0.362122D+01 -0.172444D+01 -0.354532D+01
      2   0.137829D+01 -0.477413D+01 -0.401183D+00  0.114235D+02  0.354109D+01
      3   0.566116D+00  0.163165D+02  0.402240D+01 -0.969904D+01  0.423462D-02
      4  -0.118719D+02 -0.104497D+02 -0.233125D+02  0.251721D+00  0.770089D+01
      5  -0.506866D+00 -0.104727D+02  0.148539D+01  0.361135D+02 -0.193740D+02
      6   0.576743D+00 -0.226525D+01  0.234153D+01  0.295635D+01  0.548194D+01
               101           102           103           104           105 
      1   0.296168D+01 -0.932090D+01  0.116294D+02  0.802217D+01  0.474504D+01
      2  -0.955906D+00  0.928095D+01 -0.918538D+01 -0.383310D+01 -0.869831D+01
      3  -0.200577D+01  0.399469D-01 -0.244401D+01 -0.418907D+01  0.395327D+01
      4   0.276610D+01  0.561228D+01  0.494819D+01 -0.163862D+02  0.139275D+02
      5   0.506030D+01 -0.682145D+01  0.455416D+00  0.135521D+02  0.127868D+02
      6  -0.400749D+01  0.594153D+01  0.474933D+01 -0.123595D+02 -0.868774D+01
               106           107           108           109           110 
      1  -0.268135D+02  0.572974D+01 -0.892703D+01  0.393691D+02 -0.549077D+01
      2   0.186574D+02 -0.480641D+01  0.116317D+02 -0.256578D+02  0.149941D+01
      3   0.815611D+01 -0.923331D+00 -0.270465D+01 -0.137113D+02  0.399136D+01
      4   0.131280D+02 -0.174352D+01  0.146947D+02 -0.139146D+02  0.148487D+02
      5  -0.268376D+02  0.128558D+02 -0.405046D+02  0.369494D+02 -0.453638D+01
      6   0.108687D+02 -0.150403D+02  0.139945D+02 -0.998426D+01  0.308006D+01
               111           112           113           114           115 
      1   0.266416D+02 -0.347860D+01  0.179431D+01  0.118436D+01  0.421236D+02
      2  -0.191912D+02 -0.691917D+00  0.178928D+01 -0.183541D-01 -0.268272D+02
      3  -0.745040D+01  0.417052D+01 -0.358360D+01 -0.116600D+01 -0.152964D+02
      4  -0.842967D+01  0.154346D+02 -0.613271D+01  0.129293D+02 -0.191395D+02
      5   0.270116D+02 -0.657221D+01  0.128728D+02 -0.103567D+02  0.458924D+02
      6  -0.620308D+01  0.479473D+01 -0.649836D+01  0.131309D+02 -0.119539D+02
               116           117           118           119           120 
      1  -0.115552D+01  0.987462D+01  0.846951D+00 -0.123229D+02 -0.965602D+01
      2  -0.291596D+01 -0.306085D+02 -0.120147D+01  0.151556D+02  0.414129D+01
      3   0.407148D+01  0.207339D+02  0.354515D+00 -0.283269D+01  0.551473D+01
      4   0.275832D+02 -0.136555D+02 -0.168411D+01 -0.535913D+01  0.704287D+01
      5  -0.123297D+02  0.747308D+02 -0.879984D+01  0.234116D+01  0.441819D+01
      6   0.147123D+02 -0.280155D+02  0.499924D+01 -0.316814D+00 -0.359031D+00
               121           122           123           124           125 
      1  -0.783008D+01 -0.895183D+01 -0.511881D+01 -0.118248D+02 -0.728817D+01
      2   0.131673D+02 -0.402570D+01  0.113498D+02 -0.103257D+00  0.214092D+02
      3  -0.533725D+01  0.129775D+02 -0.623096D+01  0.119281D+02 -0.141210D+02
      4  -0.429152D+01  0.285283D+02 -0.204353D+02  0.197611D+02 -0.383075D+02
      5   0.803400D+01 -0.205061D+02 -0.617974D+01  0.109180D+02 -0.144411D+02
      6  -0.519443D+01  0.199079D+02  0.105259D+02 -0.433445D+01  0.159910D+02
               126           127           128           129           130 
      1  -0.469633D+01  0.762667D+00  0.168690D+01 -0.359168D+01 -0.874585D+00
      2  -0.105997D+01 -0.647765D+01 -0.644963D+00 -0.600142D+01  0.160969D+01
      3   0.575630D+01  0.571499D+01 -0.104193D+01  0.959310D+01 -0.735107D+00
      4  -0.123723D+02 -0.562590D+01  0.422795D+01 -0.521182D+01  0.122160D+01
      5  -0.230417D+02  0.168879D+02 -0.290917D+01  0.170955D+02 -0.270370D+01
      6   0.174368D+02 -0.627956D+01  0.383985D+01 -0.695401D+01  0.174807D+01
               131           132           133           134           135 
      1  -0.118371D+01  0.141360D+01 -0.502950D+01  0.412884D+01 -0.201589D+02
      2  -0.408619D+00  0.126419D+01 -0.733372D+01 -0.516051D+00 -0.118611D+02
      3   0.159233D+01 -0.267779D+01  0.123632D+02 -0.361279D+01  0.320200D+02
      4  -0.142195D+01  0.213162D+01 -0.458375D+01  0.406223D+01 -0.651039D+01
      5   0.214933D+01 -0.346300D+01  0.176183D+02 -0.357586D+01  0.256241D+02
      6  -0.106702D+01  0.289041D+01 -0.699268D+01  0.743480D+01 -0.141755D+02
               136           137           138           139           140 
      1  -0.259234D+01 -0.164646D+00  0.595470D+01 -0.454517D+00 -0.115287D+01
      2  -0.564605D+01  0.331543D-01  0.622450D+01 -0.128933D-01 -0.514428D+00
      3   0.823839D+01  0.131492D+00 -0.121792D+02  0.467411D+00  0.166730D+01
      4   0.265809D+01  0.221101D+01 -0.262224D+01  0.316261D+00 -0.194358D+00
      5  -0.114810D+02 -0.664596D+00  0.146831D+02  0.332649D-01 -0.116632D+01
      6  -0.283906D+01 -0.200883D+01  0.309702D+01 -0.336269D+00 -0.224236D+00
               141           142           143           144           145 
      1   0.757913D+00  0.801898D+01  0.267781D+01 -0.312395D+02  0.440370D+01
      2   0.503614D+00  0.643258D+01 -0.635733D+00 -0.162274D+02 -0.551987D+01
      3  -0.126153D+01 -0.144516D+02 -0.204207D+01  0.474669D+02  0.111617D+01
      4  -0.796855D+00 -0.290494D+01 -0.280837D+01  0.404597D+01 -0.105849D+00
      5  -0.210872D+00  0.138809D+02  0.145035D+01 -0.227882D+02  0.115365D+02
      6   0.192596D+01  0.443560D+01  0.689624D+01 -0.119511D+02  0.125434D+01
               146           147           148           149           150 
      1  -0.963664D+00 -0.144919D+01 -0.136036D+01 -0.196946D+00  0.130253D+01
      2   0.717016D+00 -0.413501D+01  0.693381D+00 -0.634559D+00  0.603619D+00
      3   0.246648D+00  0.558420D+01  0.666984D+00  0.831505D+00 -0.190615D+01
      4   0.318121D+01  0.716951D+00  0.170027D+01 -0.125159D+01  0.652357D+00
      5  -0.117356D+01  0.102216D+02 -0.133707D+01  0.206153D+01 -0.193229D+01
      6   0.154284D+01  0.132680D+01  0.388607D+00 -0.781681D+00  0.821297D+00
               151           152           153           154           155 
      1  -0.417333D+01  0.963423D+00 -0.150442D+02  0.441718D+00  0.124425D+01
      2  -0.523288D+01  0.818264D+00 -0.908381D+01 -0.522707D+01 -0.935297D+00
      3   0.940621D+01 -0.178169D+01  0.241280D+02  0.478535D+01 -0.308949D+00
      4   0.143630D+01  0.261696D+01  0.126810D+01 -0.168445D+01  0.218350D+01
      5   0.125074D+02 -0.922276D+00  0.174135D+02 -0.973355D+01  0.431050D+00
      6   0.223336D+01  0.411085D+01  0.370582D+01  0.330867D+01 -0.178133D+01
               156           157           158           159           160 
      1   0.307515D+01 -0.102951D+01 -0.121580D+01  0.140371D+01  0.372531D+01
      2   0.510550D+01  0.554178D+00 -0.419285D+00 -0.151375D+00  0.666142D+01
      3  -0.818065D+01  0.475333D+00  0.163509D+01 -0.125234D+01 -0.103867D+02
      4   0.221481D+01  0.110060D+01 -0.511932D+00 -0.102162D+01  0.156215D+01
      5   0.124447D+02  0.481394D+00 -0.176566D+01 -0.618571D+00  0.131833D+02
      6  -0.425362D+01 -0.117028D+01 -0.628257D-01  0.136589D+01 -0.385246D+01
               161           162           163           164           165 
      1  -0.154126D+01 -0.238271D+02  0.117311D+02 -0.522992D+01 -0.640269D+01
      2   0.955945D+00 -0.131001D+02 -0.417547D+01  0.846038D+00  0.261556D+01
      3   0.585315D+00  0.369271D+02 -0.755565D+01  0.438389D+01  0.378712D+01
      4  -0.264164D+01 -0.283132D+01 -0.121333D+02  0.151118D+02  0.639556D+01
      5  -0.355705D+00 -0.207531D+02 -0.109823D+02  0.498825D+01  0.871581D+01
      6   0.571416D+01  0.102152D+02  0.512786D+01 -0.228803D+01 -0.267412D+01
               166           167           168           169           170 
      1  -0.373618D+01 -0.325015D+01 -0.330545D+01 -0.211796D+02 -0.535736D+01
      2  -0.222900D+01  0.123207D+02  0.548410D+01  0.917825D+01  0.652546D+01
      3   0.596518D+01 -0.907058D+01 -0.217865D+01  0.120013D+02 -0.116809D+01
      4   0.227520D+02 -0.302777D+02 -0.166475D+02  0.149575D+02 -0.242366D+02
      5   0.800313D+01 -0.151543D+02 -0.127584D+02  0.197262D+02 -0.177553D+02
      6  -0.576708D+01  0.122202D+02  0.103958D+02 -0.939842D+01  0.124195D+02
               171           172           173           174           175 
      1   0.274505D+00  0.173658D+02 -0.395686D+01  0.879082D+01  0.243772D+00
      2  -0.105596D+01 -0.864338D+01 -0.460635D-01 -0.446509D+01 -0.246487D+01
      3   0.781450D+00 -0.872244D+01  0.400292D+01 -0.432572D+01  0.222110D+01
      4  -0.206295D+02 -0.117034D+02  0.146456D+02 -0.851092D+01  0.139914D+02
      5  -0.203378D+02  0.151230D+02 -0.690220D+01  0.133981D+02 -0.555887D+01
      6   0.119795D+02 -0.502257D+01  0.258576D+01 -0.352139D+01  0.372086D+01
               176           177           178           179           180 
      1   0.150680D+01  0.775254D+00  0.202056D+02  0.398282D+00  0.203870D+01
      2   0.335417D+01 -0.219262D+01 -0.100985D+02 -0.261936D+01 -0.347225D+01
      3  -0.486097D+01  0.141737D+01 -0.101071D+02  0.222107D+01  0.143354D+01
      4  -0.148662D+02  0.863031D+01 -0.137262D+02  0.168275D+02 -0.179834D+02
      5   0.816749D+01 -0.872100D+01  0.183554D+02 -0.158288D+02  0.269746D+02
      6  -0.539192D+01  0.760752D+01 -0.673713D+01  0.907725D+01 -0.102682D+02
               181           182           183           184           185 
      1  -0.107498D+02  0.326496D+01 -0.154846D+02  0.147330D+01 -0.153114D+02
      2   0.298090D+01 -0.172155D+01  0.526271D+01 -0.142825D+01  0.897318D+01
      3   0.776886D+01 -0.154342D+01  0.102219D+02 -0.450572D-01  0.633825D+01
      4  -0.215537D+01 -0.530006D+01  0.846976D+00 -0.274204D+01  0.703244D+01
      5  -0.817913D+01  0.133750D+01 -0.527768D+01  0.693551D+00 -0.513800D+01
      6  -0.454045D+01  0.181602D+01 -0.475465D+01  0.184295D+01 -0.560631D+01
               186           187           188           189           190 
      1   0.781175D+01 -0.255384D+02  0.790782D+01 -0.246810D+02  0.109304D+02
      2  -0.369600D+01  0.104378D+02 -0.172830D+01  0.148774D+00 -0.759582D+01
      3  -0.411575D+01  0.151006D+02 -0.617951D+01  0.245323D+02 -0.333458D+01
      4  -0.495124D+01 -0.123968D+00 -0.755792D+01  0.100080D+02 -0.914742D+01
      5   0.128574D+02 -0.185660D+01  0.114856D+02 -0.318474D+02 -0.119994D+02
      6   0.989261D+01 -0.271864D+01  0.791480D+01 -0.133844D+02  0.263191D+01
               191           192           193           194           195 
      1  -0.934228D+01 -0.100999D+02 -0.240013D+02  0.123371D+02  0.666614D+01
      2   0.566870D+01  0.682940D+01  0.150593D+02 -0.741646D+01 -0.947440D+01
      3   0.367358D+01  0.327054D+01  0.894200D+01 -0.492064D+01  0.280827D+01
      4   0.108571D+02  0.569575D+01  0.223166D+02 -0.298054D+02 -0.258660D+02
      5   0.665497D+01  0.153379D+02  0.171114D+02 -0.267770D+02 -0.332547D+02
      6  -0.181711D+01 -0.119143D+01 -0.446465D+01  0.814574D+01  0.819877D+01
               196           197           198           199           200 
      1  -0.250791D+02  0.417220D+01  0.148063D+02  0.459780D+02 -0.107957D+02
      2   0.182690D+02 -0.750466D+01 -0.217746D+02 -0.227171D+02  0.524351D+01
      3   0.681004D+01  0.333247D+01  0.696827D+01 -0.232609D+02  0.555216D+01
      4   0.113805D+02 -0.280075D+02 -0.270030D+02 -0.966772D+01  0.143372D+02
      5   0.331414D+02 -0.283275D+02 -0.511295D+02  0.218252D+02 -0.758732D+01
      6  -0.276632D+01  0.858669D+01  0.769204D+01 -0.627027D+00 -0.773626D+00
               201           202           203           204           205 
      1   0.238260D+02 -0.216202D+02  0.163922D+02 -0.101019D+02  0.568064D+02
      2  -0.109343D+02  0.106919D+02 -0.680530D+01  0.346395D+01 -0.288441D+02
      3  -0.128916D+02  0.109283D+02 -0.958689D+01  0.663792D+01 -0.279623D+02
      4  -0.754974D+01  0.203419D+02 -0.123529D+02  0.720634D+01 -0.122487D+02
      5   0.219025D+02 -0.999146D+01  0.688331D+01 -0.167320D+02  0.326668D+02
      6   0.315906D+00 -0.196260D+00 -0.141917D+01  0.279937D+01 -0.103861D+00
               206           207           208           209           210 
      1  -0.124849D+02  0.281824D+02  0.484366D+02  0.273838D+02 -0.870581D+01
      2   0.507143D+01 -0.164718D+02 -0.212525D+02 -0.113296D+02  0.515140D+01
      3   0.741346D+01 -0.117105D+02 -0.271841D+02 -0.160542D+02  0.355441D+01
      4   0.152348D+02 -0.149097D+02  0.341949D+02  0.320763D+02 -0.100413D+02
      5  -0.153955D+02  0.419071D+02 -0.146346D+02 -0.113934D+02  0.142930D+02
      6   0.245789D+01  0.298020D+00 -0.605693D+01 -0.497703D+01  0.302044D+01
               211           212           213           214           215 
      1   0.586861D+02  0.317602D+02 -0.126292D+02 -0.112651D+02 -0.756052D+01
      2  -0.238587D+02 -0.596816D+01  0.640435D+01  0.701509D+01  0.338917D+01
      3  -0.348274D+02 -0.257920D+02  0.622485D+01  0.425002D+01  0.417134D+01
      4   0.537562D+02  0.621958D+02 -0.184144D+02 -0.123146D+02 -0.152330D+02
      5  -0.224693D+02 -0.195034D+02  0.162678D+02  0.214702D+02  0.901537D+01
      6  -0.968185D+01 -0.117304D+02  0.814219D+01  0.487260D+01  0.716267D+01
               216           217           218           219           220 
      1   0.127619D+02  0.112708D+02 -0.154185D+01  0.115948D+02 -0.724003D+01
      2  -0.789975D+01 -0.969925D+01  0.392476D+01 -0.127133D+02  0.716663D+01
      3  -0.486211D+01 -0.157158D+01 -0.238292D+01  0.111849D+01  0.734085D-01
      4   0.848269D+01  0.298899D+01  0.890093D+01  0.297712D+01  0.503181D+01
      5  -0.132109D+02  0.186113D+02  0.196368D-01  0.237954D+02 -0.700094D+01
      6  -0.405211D+01  0.350437D+01  0.213552D+01  0.515222D+01  0.617982D+00
               221           222           223           224           225 
      1   0.341215D+01 -0.268591D+01  0.153854D+02 -0.242630D+01  0.373621D+01
      2  -0.214691D+01  0.690112D+01 -0.156379D+02  0.532486D+01 -0.239562D+02
      3  -0.126523D+01 -0.421521D+01  0.252568D+00 -0.289855D+01  0.202200D+02
      4  -0.169475D+01  0.378462D+01  0.480903D+01  0.795843D+01  0.204514D+01
      5   0.547499D+01 -0.158592D+02  0.242695D+02 -0.160139D+01  0.523542D+02
      6  -0.177596D+01  0.223512D+00  0.550958D+01  0.440084D+01  0.135651D+02
               226           227           228           229           230 
      1  -0.540650D+02  0.134525D+02  0.119847D+02  0.759610D+01 -0.101209D+02
      2   0.300253D+02 -0.121766D+02 -0.665157D+01 -0.567157D+01  0.101216D+02
      3   0.240396D+02 -0.127591D+01 -0.533312D+01 -0.192452D+01 -0.685842D-03
      4  -0.144502D+02 -0.397862D+01 -0.142719D+01  0.217248D+01  0.357268D+01
      5  -0.110782D+01 -0.378805D+01 -0.346012D+01 -0.101073D+01 -0.539222D+00
      6   0.321506D+01 -0.516280D+01 -0.504829D+01 -0.347884D+01  0.186448D+01
               231           232           233           234           235 
      1  -0.378015D+01  0.979347D+01 -0.257752D+01 -0.592712D+01  0.128071D+02
      2   0.234053D+01 -0.524683D+01  0.105456D+01  0.275456D+00  0.265168D+01
      3   0.143962D+01 -0.454664D+01  0.152296D+01  0.565167D+01 -0.154587D+02
      4  -0.107211D+01  0.141899D+01 -0.232236D+01 -0.121895D+01  0.265119D+02
      5  -0.205228D+01  0.211839D+01 -0.367746D+00  0.503561D+01  0.203849D+01
      6   0.166454D+01 -0.335258D+01  0.265649D+01  0.314530D+01  0.163687D+01
               236           237           238           239           240 
      1   0.114529D+02 -0.592244D+00  0.132923D+02 -0.197223D+01 -0.106338D+01
      2   0.753183D+01 -0.138608D+01  0.886017D+01  0.382639D+02 -0.116890D+01
      3  -0.189847D+02  0.197833D+01 -0.221524D+02 -0.362917D+02  0.223228D+01
      4   0.334773D+02  0.110812D+00  0.388513D+02  0.697886D+02 -0.120029D+01
      5   0.221450D+01  0.794509D+01  0.206559D+01  0.187474D+01  0.691296D+01
      6   0.224102D+01  0.378842D+01  0.185098D+01  0.488730D+01  0.692531D+01
               241           242           243           244           245 
      1  -0.499890D+01 -0.449688D+00  0.286581D+01  0.199540D+01  0.115855D+01
      2  -0.103315D+01 -0.615738D+01 -0.177783D-01 -0.586077D+01  0.996123D-01
      3   0.603205D+01  0.660707D+01 -0.284803D+01  0.386537D+01 -0.125816D+01
      4  -0.742089D+01 -0.139051D+02  0.672792D+01  0.248467D+01  0.539167D+01
      5   0.746899D+01  0.514324D+01 -0.102715D+01 -0.138732D+02  0.736504D+00
      6   0.378746D+01  0.606072D+01 -0.210041D+01 -0.104557D+01 -0.162331D+00
               246           247           248           249           250 
      1  -0.796912D+01  0.124355D+01  0.139378D+01  0.224389D+00 -0.104394D+02
      2   0.665755D+01  0.354283D+00 -0.143728D+01 -0.129166D+01  0.106285D+02
      3   0.131157D+01 -0.159784D+01  0.434963D-01  0.106727D+01 -0.189048D+00
      4  -0.320192D+00  0.857199D+01 -0.108364D+01 -0.451618D+01 -0.179575D+01
      5   0.132689D+02  0.692683D+00 -0.501434D+01 -0.184205D+00  0.191760D+02
      6   0.101477D+01 -0.129982D+01 -0.528394D+00  0.514216D+01  0.916806D+00
               251           252           253           254           255 
      1   0.549869D+00 -0.410671D+01 -0.846632D+02 -0.921119D+01  0.833218D+01
      2  -0.845919D+00 -0.171091D+02  0.469367D+02  0.148025D+02 -0.590967D+01
      3   0.296050D+00  0.212158D+02  0.377265D+02 -0.559126D+01 -0.242251D+01
      4  -0.830929D+01  0.135500D+01 -0.149327D+02  0.279268D+02  0.361512D+01
      5   0.231831D-02 -0.448454D+02  0.120510D+02  0.858730D+00  0.982606D+01
      6   0.394189D+01 -0.425657D+01  0.654941D+01  0.395331D+00  0.531466D+01
               256           257           258           259           260 
      1   0.174590D+02  0.339246D+02 -0.524880D+01  0.195195D+02 -0.495764D+01
      2   0.337326D+01 -0.250813D+02  0.113772D+02 -0.551660D+01  0.153574D+02
      3  -0.208322D+02 -0.884327D+01 -0.612840D+01 -0.140029D+02 -0.103998D+02
      4   0.416524D+02  0.185394D+01  0.182005D+02  0.127327D+02  0.249145D+02
      5   0.502975D+01  0.199279D+02 -0.431848D+01  0.116172D+02 -0.776793D+01
      6   0.423273D+01  0.141956D+02 -0.166042D+01  0.505851D+01 -0.365789D+01
               261           262           263           264           265 
      1   0.173569D+02  0.463109D+01 -0.744123D+01  0.612537D+00 -0.401211D+01
      2  -0.638592D+01  0.423459D+01 -0.401935D+01  0.258573D+00 -0.882156D+01
      3  -0.109710D+02 -0.886568D+01  0.114606D+02 -0.871110D+00  0.128337D+02
      4  -0.292469D+01 -0.148239D+02  0.217271D+02 -0.128333D+01  0.251333D+02
      5  -0.292325D+02 -0.556170D+00 -0.405216D-01  0.248955D+01 -0.262021D+00
      6  -0.140276D+02 -0.386273D+00  0.260289D+00 -0.793020D+00  0.620737D+00
               266           267           268           269           270 
      1  -0.115084D+02 -0.609867D-01  0.188667D+01  0.292857D+01 -0.146756D+01
      2   0.419478D+02 -0.237763D+01  0.406548D+01 -0.156901D+02  0.457647D+01
      3  -0.304394D+02  0.243862D+01 -0.595215D+01  0.127615D+02 -0.310891D+01
      4  -0.636816D+02  0.261144D+01 -0.112511D+02  0.268742D+02 -0.770089D+01
      5   0.620295D+00 -0.792461D+01  0.339744D+01 -0.688763D+01  0.263233D+01
      6  -0.121772D+01  0.564571D+01 -0.289085D+01  0.815744D+01 -0.292323D+01
               271           272           273           274           275 
      1   0.515729D+01  0.278301D+01  0.559407D+01 -0.179082D+01 -0.683083D+01
      2  -0.492643D+01 -0.320504D+01 -0.216605D+01  0.687147D-02  0.533119D+01
      3  -0.230861D+00  0.422034D+00 -0.342802D+01  0.178395D+01  0.149964D+01
      4   0.571591D+00 -0.327568D+01  0.847587D+00 -0.130555D+01  0.238684D+01
      5   0.327073D+01 -0.595265D+00 -0.385765D+00  0.563383D+00  0.343043D+01
      6   0.165676D+01 -0.114274D+01 -0.163481D+01  0.699163D-01  0.230954D+01
               276           277           278           279           280 
      1  -0.221791D+01  0.125303D+02 -0.313704D+01 -0.124954D+02  0.129438D+03
      2   0.135467D+01 -0.594129D+01  0.373851D+01 -0.306829D+01 -0.611382D+02
      3   0.863248D+00 -0.658897D+01 -0.601468D+00  0.155637D+02 -0.683002D+02
      4   0.332221D+01  0.937133D+01  0.127581D+02  0.860625D+01  0.488465D+02
      5   0.533396D+01  0.760727D+01  0.994488D+01  0.411023D+02 -0.499222D+01
      6   0.634502D+01  0.208342D+01  0.923329D+01  0.227092D+02 -0.225502D+01
               281           282           283           284           285 
      1   0.122814D+02 -0.521234D+01 -0.712955D+01  0.658711D+01  0.693395D+00
      2  -0.114971D+01  0.284487D+01  0.632845D+01 -0.100203D+01 -0.151030D+01
      3  -0.111316D+02  0.236747D+01  0.801101D+00 -0.558508D+01  0.816902D+00
      4   0.208914D+02 -0.973401D+00  0.105724D+02  0.366014D+01 -0.226140D+01
      5  -0.117835D+00  0.131165D+02 -0.142787D+00 -0.252840D+01 -0.552425D-01
      6   0.291590D+00  0.390479D+01 -0.138313D+00 -0.106914D+01  0.821198D+00
               286           287           288           289           290 
      1  -0.132899D+02 -0.821548D+00  0.896494D+01  0.790025D+00  0.130782D+02
      2   0.647780D+01 -0.145810D+01 -0.560976D+01  0.186491D+01 -0.141155D+02
      3   0.681215D+01  0.227965D+01 -0.335518D+01 -0.265493D+01  0.103737D+01
      4  -0.628841D+01 -0.505437D+01  0.437599D+01  0.283168D+01 -0.819822D+01
      5   0.148445D+02  0.261568D+01 -0.755165D+00 -0.301635D+01  0.154562D+01
      6   0.384570D+01  0.200681D+01  0.457354D+00 -0.236904D+01  0.198862D+01
               291           292           293           294           295 
      1  -0.476883D+01  0.978540D+01 -0.295599D+02  0.670998D+01 -0.818647D+01
      2   0.360623D+01 -0.479090D+01  0.466893D+02 -0.971259D+01  0.290702D+01
      3   0.116260D+01 -0.499449D+01 -0.171294D+02  0.300261D+01  0.527946D+01
      4  -0.349276D+00  0.781050D+01  0.437007D+02 -0.103582D+02 -0.661296D+01
      5  -0.274341D+01 -0.556236D+00 -0.126628D+02  0.950023D+01  0.128505D+01
      6  -0.299331D+01 -0.382930D+00 -0.102800D+02  0.888008D+01  0.176937D-01
               296           297 
      1   0.907639D+01 -0.826511D+01
      2  -0.144129D+02  0.714753D+01
      3   0.533647D+01  0.111758D+01
      4  -0.196544D+02  0.842265D+01
      5   0.104229D+02 -0.539002D+01
      6   0.102778D+02 -0.599643D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 17:00:50 2021, MaxMem=  6442450944 cpu:          118807.3 elap:           14860.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32405 -19.26672 -10.43597 -10.32319 -10.31288
 Alpha  occ. eigenvalues --  -10.30669 -10.30207 -10.30066 -10.30011 -10.29928
 Alpha  occ. eigenvalues --  -10.29918 -10.29429 -10.29261 -10.28357 -10.27958
 Alpha  occ. eigenvalues --   -1.22133  -1.12974  -0.97526  -0.92812  -0.90204
 Alpha  occ. eigenvalues --   -0.85170  -0.84732  -0.78507  -0.78243  -0.76934
 Alpha  occ. eigenvalues --   -0.71195  -0.69999  -0.66669  -0.65502  -0.60536
 Alpha  occ. eigenvalues --   -0.59975  -0.58211  -0.56015  -0.55654  -0.53700
 Alpha  occ. eigenvalues --   -0.53603  -0.52902  -0.51424  -0.50770  -0.50306
 Alpha  occ. eigenvalues --   -0.49924  -0.47341  -0.46834  -0.46288  -0.45535
 Alpha  occ. eigenvalues --   -0.45182  -0.44316  -0.42759  -0.42210  -0.41489
 Alpha  occ. eigenvalues --   -0.41331  -0.40612  -0.40232  -0.36897  -0.33381
 Alpha  occ. eigenvalues --   -0.31619
 Alpha virt. eigenvalues --    0.03386   0.03695   0.04043   0.04501   0.04773
 Alpha virt. eigenvalues --    0.04976   0.05279   0.05366   0.05738   0.06382
 Alpha virt. eigenvalues --    0.06874   0.07080   0.07439   0.07849   0.08097
 Alpha virt. eigenvalues --    0.08386   0.09381   0.09422   0.09629   0.10025
 Alpha virt. eigenvalues --    0.10969   0.11637   0.12343   0.12588   0.12673
 Alpha virt. eigenvalues --    0.13139   0.13651   0.13812   0.14014   0.14245
 Alpha virt. eigenvalues --    0.14633   0.14963   0.15224   0.15814   0.16021
 Alpha virt. eigenvalues --    0.16229   0.16375   0.16542   0.17048   0.17550
 Alpha virt. eigenvalues --    0.17866   0.18154   0.18389   0.18546   0.19007
 Alpha virt. eigenvalues --    0.19391   0.20085   0.20316   0.20394   0.20807
 Alpha virt. eigenvalues --    0.21008   0.21316   0.21961   0.22382   0.22533
 Alpha virt. eigenvalues --    0.23249   0.23329   0.23711   0.24225   0.24611
 Alpha virt. eigenvalues --    0.24808   0.25100   0.25934   0.26215   0.26606
 Alpha virt. eigenvalues --    0.26883   0.27184   0.27806   0.28363   0.28542
 Alpha virt. eigenvalues --    0.28887   0.29058   0.29547   0.29760   0.29844
 Alpha virt. eigenvalues --    0.30129   0.30421   0.30759   0.30829   0.31102
 Alpha virt. eigenvalues --    0.31386   0.32381   0.32781   0.32962   0.33644
 Alpha virt. eigenvalues --    0.33886   0.34105   0.34929   0.34975   0.35392
 Alpha virt. eigenvalues --    0.35547   0.36204   0.36362   0.37001   0.37404
 Alpha virt. eigenvalues --    0.37537   0.37808   0.38952   0.39611   0.39907
 Alpha virt. eigenvalues --    0.40653   0.41049   0.41399   0.41666   0.41978
 Alpha virt. eigenvalues --    0.42256   0.42422   0.42701   0.43083   0.43724
 Alpha virt. eigenvalues --    0.43906   0.44433   0.44676   0.44983   0.45240
 Alpha virt. eigenvalues --    0.45487   0.46113   0.46888   0.47162   0.47567
 Alpha virt. eigenvalues --    0.47943   0.48255   0.48890   0.49228   0.50040
 Alpha virt. eigenvalues --    0.50432   0.50782   0.51351   0.51796   0.52100
 Alpha virt. eigenvalues --    0.52539   0.52950   0.53558   0.53719   0.54376
 Alpha virt. eigenvalues --    0.54814   0.55096   0.55642   0.56218   0.56632
 Alpha virt. eigenvalues --    0.57276   0.57510   0.58411   0.58603   0.58986
 Alpha virt. eigenvalues --    0.59794   0.60127   0.60736   0.61125   0.61348
 Alpha virt. eigenvalues --    0.61587   0.62055   0.62684   0.62954   0.63139
 Alpha virt. eigenvalues --    0.63802   0.64308   0.64655   0.65162   0.65342
 Alpha virt. eigenvalues --    0.65883   0.66341   0.66705   0.67116   0.67258
 Alpha virt. eigenvalues --    0.67608   0.68398   0.68700   0.69182   0.69396
 Alpha virt. eigenvalues --    0.69768   0.70271   0.70848   0.71163   0.72103
 Alpha virt. eigenvalues --    0.72402   0.72661   0.73249   0.73362   0.74036
 Alpha virt. eigenvalues --    0.74736   0.74906   0.75080   0.75274   0.76007
 Alpha virt. eigenvalues --    0.76382   0.77721   0.77790   0.77985   0.78144
 Alpha virt. eigenvalues --    0.78892   0.79233   0.79439   0.80165   0.80624
 Alpha virt. eigenvalues --    0.81140   0.81598   0.82456   0.82595   0.83306
 Alpha virt. eigenvalues --    0.84326   0.84372   0.84851   0.85339   0.86045
 Alpha virt. eigenvalues --    0.86406   0.87011   0.87880   0.87999   0.88238
 Alpha virt. eigenvalues --    0.88937   0.89496   0.89716   0.90603   0.91130
 Alpha virt. eigenvalues --    0.91382   0.92364   0.92603   0.93023   0.93872
 Alpha virt. eigenvalues --    0.95057   0.95776   0.96212   0.96560   0.97159
 Alpha virt. eigenvalues --    0.97692   0.98025   0.98718   0.99639   1.01407
 Alpha virt. eigenvalues --    1.02432   1.02697   1.03433   1.03875   1.04609
 Alpha virt. eigenvalues --    1.06420   1.07283   1.07673   1.08597   1.08820
 Alpha virt. eigenvalues --    1.09980   1.10866   1.11676   1.12519   1.13399
 Alpha virt. eigenvalues --    1.14494   1.15305   1.16644   1.17775   1.18134
 Alpha virt. eigenvalues --    1.18638   1.19656   1.20158   1.21501   1.22201
 Alpha virt. eigenvalues --    1.23208   1.24150   1.25724   1.25778   1.26903
 Alpha virt. eigenvalues --    1.27142   1.28196   1.29720   1.29914   1.32067
 Alpha virt. eigenvalues --    1.32299   1.34364   1.34818   1.36757   1.38351
 Alpha virt. eigenvalues --    1.40932   1.41163   1.41482   1.42616   1.44694
 Alpha virt. eigenvalues --    1.44995   1.46459   1.46515   1.47228   1.48484
 Alpha virt. eigenvalues --    1.49390   1.49981   1.52124   1.53498   1.54298
 Alpha virt. eigenvalues --    1.55460   1.56037   1.56662   1.57129   1.57351
 Alpha virt. eigenvalues --    1.58281   1.58571   1.59604   1.60163   1.62158
 Alpha virt. eigenvalues --    1.62606   1.63545   1.64643   1.65251   1.65838
 Alpha virt. eigenvalues --    1.66120   1.67453   1.68853   1.69138   1.70219
 Alpha virt. eigenvalues --    1.71226   1.72603   1.72927   1.74033   1.75046
 Alpha virt. eigenvalues --    1.75711   1.76718   1.77629   1.78213   1.78792
 Alpha virt. eigenvalues --    1.79671   1.79753   1.80837   1.81537   1.81708
 Alpha virt. eigenvalues --    1.82304   1.83931   1.84730   1.85274   1.86564
 Alpha virt. eigenvalues --    1.87040   1.87643   1.89386   1.90636   1.90931
 Alpha virt. eigenvalues --    1.91797   1.92647   1.94023   1.94574   1.95599
 Alpha virt. eigenvalues --    1.96474   1.97014   1.97730   1.98434   1.98976
 Alpha virt. eigenvalues --    1.99603   2.00903   2.01716   2.01906   2.02846
 Alpha virt. eigenvalues --    2.04040   2.04830   2.05135   2.06063   2.07169
 Alpha virt. eigenvalues --    2.08227   2.08341   2.09196   2.10276   2.12166
 Alpha virt. eigenvalues --    2.12519   2.13880   2.13985   2.15424   2.15966
 Alpha virt. eigenvalues --    2.17093   2.18159   2.19430   2.19861   2.20536
 Alpha virt. eigenvalues --    2.21260   2.22021   2.23464   2.24009   2.25619
 Alpha virt. eigenvalues --    2.25942   2.26243   2.27803   2.29454   2.30794
 Alpha virt. eigenvalues --    2.31325   2.32532   2.33299   2.33765   2.35316
 Alpha virt. eigenvalues --    2.36793   2.36927   2.38463   2.39648   2.40296
 Alpha virt. eigenvalues --    2.40890   2.42247   2.42725   2.45405   2.46575
 Alpha virt. eigenvalues --    2.46965   2.47975   2.49968   2.51033   2.55044
 Alpha virt. eigenvalues --    2.55737   2.56504   2.56758   2.57721   2.60271
 Alpha virt. eigenvalues --    2.61758   2.62791   2.63976   2.64832   2.66808
 Alpha virt. eigenvalues --    2.68294   2.68967   2.69672   2.71086   2.73579
 Alpha virt. eigenvalues --    2.76325   2.78410   2.79488   2.80564   2.82500
 Alpha virt. eigenvalues --    2.84547   2.84798   2.87737   2.89900   2.91004
 Alpha virt. eigenvalues --    2.92285   2.95344   2.96723   2.98784   2.99775
 Alpha virt. eigenvalues --    3.04469   3.11712   3.16495   3.17796   3.17852
 Alpha virt. eigenvalues --    3.21552   3.28785   3.35618   3.42047   3.44252
 Alpha virt. eigenvalues --    3.46048   3.51071   3.51858   3.52999   3.55280
 Alpha virt. eigenvalues --    3.58598   3.61718   3.69570   3.71059   3.80146
 Alpha virt. eigenvalues --    3.82943   3.92146   3.98508   4.10667   4.88448
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   23.363147  -2.466151  -1.620724  -3.405833  -1.868118  -7.683134
     2  C   -2.466151  24.804522  -3.187493  -6.170330   1.661843  -9.060012
     3  C   -1.620724  -3.187493  24.910373  -3.733184  -8.175004  -1.690315
     4  C   -3.405833  -6.170330  -3.733184  27.573978  -7.595021   1.583849
     5  C   -1.868118   1.661843  -8.175004  -7.595021  34.446884  -7.998048
     6  C   -7.683134  -9.060012  -1.690315   1.583849  -7.998048  34.830412
     7  C    0.250034  -1.914634  -0.780069  -0.483311  -0.303902  -1.082660
     8  C   -0.267901   0.187862  -0.033594  -0.238511  -0.094954  -0.312628
     9  C    0.046085   0.038382   0.046759   0.015229   0.000472  -0.182645
    10  C    0.270971  -0.117173   0.126435  -0.057535   0.087256  -0.501019
    11  C   -0.165591  -0.229292   0.724700  -5.240638  -0.640901   0.197873
    12  C   -0.159259  -0.013709  -0.080431   0.862568  -1.072904   0.044401
    13  O    0.009254  -0.000953  -0.001152  -0.090230   0.163558  -0.053138
    14  O    0.038083   0.006896  -0.001873  -0.002013   0.085443  -0.036370
    15  H   -2.337057   0.671358   0.716893   0.308044  -0.315408   0.309307
    16  H    0.948726   0.224642  -2.506419   0.479909   0.282877  -0.325724
    17  H   -0.091336  -1.033226   0.661941   2.071888  -4.345001   1.217301
    18  H    0.730606   2.476054  -0.038390  -1.243697   1.119531  -4.006298
    19  H   -0.400169  -0.307334  -0.227577   0.172301   0.234877   0.889817
    20  H    0.778174  -0.519067   0.440659  -0.008948  -0.074492  -0.843029
    21  H    0.025085  -0.157179  -0.005153   0.103145   0.043493   0.281011
    22  H    0.067050   0.209971   0.017885  -0.002030   0.005539  -0.130695
    23  H   -0.041153   0.120725  -0.000075   0.011353  -0.006938   0.075316
    24  H   -0.009929  -0.133719  -0.004655  -0.006819   0.000801  -0.007811
    25  H    0.181418  -0.125391   0.083965  -0.001235   0.015773  -0.086823
    26  H   -0.027745   0.022540  -0.171029   0.067131   0.004738   0.155300
    27  H   -0.016498   0.051655   0.033523  -0.006302   0.001598  -0.057620
    28  H   -0.047691   0.004741  -0.025219   0.770046  -0.097479  -0.057559
    29  C   -0.020809  -0.158376   0.304121  -0.524604  -0.576646   0.014843
    30  H   -0.005152  -0.000333  -0.007426   0.032727  -0.023961   0.005893
    31  H    0.022303  -0.066583   0.148289   0.009642  -0.319798  -0.037242
    32  H   -0.032612   0.052631  -0.269970   0.910327   0.152363  -0.002410
    33  H    0.044801  -0.045503   0.188039  -0.711671   0.067509  -0.016585
               7          8          9         10         11         12
     1  C    0.250034  -0.267901   0.046085   0.270971  -0.165591  -0.159259
     2  C   -1.914634   0.187862   0.038382  -0.117173  -0.229292  -0.013709
     3  C   -0.780069  -0.033594   0.046759   0.126435   0.724700  -0.080431
     4  C   -0.483311  -0.238511   0.015229  -0.057535  -5.240638   0.862568
     5  C   -0.303902  -0.094954   0.000472   0.087256  -0.640901  -1.072904
     6  C   -1.082660  -0.312628  -0.182645  -0.501019   0.197873   0.044401
     7  C   11.452217  -0.425469   0.093232   0.219080  -0.369786  -0.008532
     8  C   -0.425469   9.154659  -0.130387  -0.292160   0.031739  -0.009748
     9  C    0.093232  -0.130387   4.999694  -0.229405  -0.002560   0.001049
    10  C    0.219080  -0.292160  -0.229405   4.755986  -0.028608   0.002549
    11  C   -0.369786   0.031739  -0.002560  -0.028608  14.649513  -2.255399
    12  C   -0.008532  -0.009748   0.001049   0.002549  -2.255399   7.712970
    13  O   -0.001859   0.000539   0.000021  -0.000114   0.091432   0.033751
    14  O    0.000483   0.002072   0.000082  -0.000575   0.108899  -0.296820
    15  H   -0.450711  -0.022727   0.026910  -0.031973   0.149511   0.010557
    16  H    0.140548   0.007216  -0.000857   0.001725  -0.100521  -0.049225
    17  H    0.101680  -0.008821  -0.001535  -0.000048  -0.092000   0.196581
    18  H   -0.221436   0.041632   0.036567   0.017880  -0.011360   0.002045
    19  H   -0.767292   0.054892  -0.049974   0.012228   0.000338   0.000493
    20  H   -0.413350   0.113394  -0.125848   0.029106  -0.017450  -0.001538
    21  H   -0.134788  -1.480444  -0.117853   0.162904   0.005603   0.000822
    22  H   -0.199191   0.232531   0.134450  -0.036756   0.000464   0.000047
    23  H   -0.075553  -0.258719   0.406287  -0.090749   0.001245   0.000188
    24  H    0.099280   0.245696   0.063064   0.052098  -0.000967  -0.000112
    25  H   -0.230393   0.007917  -0.089955   0.240450  -0.001509   0.000315
    26  H   -0.154570   0.330621  -0.094145   0.130400  -0.002833  -0.001468
    27  H    0.077257  -0.101078   0.079840   0.137375  -0.000186   0.001005
    28  H   -0.005649   0.002359   0.000020  -0.000431  -1.522323   0.173562
    29  C   -0.061529  -0.003940  -0.000155  -0.001137   0.548415   0.089464
    30  H   -0.000023  -0.000001   0.000023  -0.000182   0.018434  -0.054320
    31  H   -0.008730   0.000496  -0.000044  -0.000661  -0.266395   0.063700
    32  H    0.002658  -0.000644  -0.000045   0.000207  -0.536150   0.013060
    33  H   -0.015475   0.000175   0.000071  -0.000260   0.671251  -0.121394
              13         14         15         16         17         18
     1  C    0.009254   0.038083  -2.337057   0.948726  -0.091336   0.730606
     2  C   -0.000953   0.006896   0.671358   0.224642  -1.033226   2.476054
     3  C   -0.001152  -0.001873   0.716893  -2.506419   0.661941  -0.038390
     4  C   -0.090230  -0.002013   0.308044   0.479909   2.071888  -1.243697
     5  C    0.163558   0.085443  -0.315408   0.282877  -4.345001   1.119531
     6  C   -0.053138  -0.036370   0.309307  -0.325724   1.217301  -4.006298
     7  C   -0.001859   0.000483  -0.450711   0.140548   0.101680  -0.221436
     8  C    0.000539   0.002072  -0.022727   0.007216  -0.008821   0.041632
     9  C    0.000021   0.000082   0.026910  -0.000857  -0.001535   0.036567
    10  C   -0.000114  -0.000575  -0.031973   0.001725  -0.000048   0.017880
    11  C    0.091432   0.108899   0.149511  -0.100521  -0.092000  -0.011360
    12  C    0.033751  -0.296820   0.010557  -0.049225   0.196581   0.002045
    13  O    8.443494   0.000738  -0.000244   0.003793  -0.044380  -0.000938
    14  O    0.000738   8.376146  -0.000262   0.016050  -0.015818  -0.000586
    15  H   -0.000244  -0.000262   3.371192  -0.368896  -0.004324  -0.005681
    16  H    0.003793   0.016050  -0.368896   3.335748  -0.017953  -0.007467
    17  H   -0.044380  -0.015818  -0.004324  -0.017953   3.842096  -0.365909
    18  H   -0.000938  -0.000586  -0.005681  -0.007467  -0.365909   3.618000
    19  H   -0.000149   0.000020   0.031922  -0.003755   0.006631  -0.061332
    20  H    0.000032  -0.000033  -0.145862   0.023365   0.001316   0.000631
    21  H    0.000012   0.000026  -0.002445   0.001979   0.003396  -0.066008
    22  H    0.000006   0.000014   0.001464  -0.000060   0.000110   0.014099
    23  H   -0.000001   0.000007   0.013660  -0.000785  -0.000488   0.004962
    24  H    0.000003   0.000002  -0.003967   0.000258   0.000071  -0.004315
    25  H   -0.000003  -0.000048  -0.023134   0.003004   0.001682  -0.010938
    26  H   -0.000062  -0.000751   0.000750  -0.004449  -0.004401   0.018861
    27  H   -0.000034  -0.000049   0.008874  -0.001675  -0.000763   0.004175
    28  H   -0.001728  -0.044857   0.007796  -0.169794  -0.016891   0.003687
    29  C   -0.009640  -0.004274   0.008812   0.003768   0.010034   0.001052
    30  H   -0.038592   0.300819   0.000059  -0.000731   0.001930  -0.000012
    31  H    0.007841  -0.009334  -0.001101   0.009330  -0.072654   0.000821
    32  H    0.000933   0.001897   0.000363   0.001127   0.010508  -0.001050
    33  H    0.017751   0.007192   0.003188  -0.009640   0.012200  -0.002008
              19         20         21         22         23         24
     1  C   -0.400169   0.778174   0.025085   0.067050  -0.041153  -0.009929
     2  C   -0.307334  -0.519067  -0.157179   0.209971   0.120725  -0.133719
     3  C   -0.227577   0.440659  -0.005153   0.017885  -0.000075  -0.004655
     4  C    0.172301  -0.008948   0.103145  -0.002030   0.011353  -0.006819
     5  C    0.234877  -0.074492   0.043493   0.005539  -0.006938   0.000801
     6  C    0.889817  -0.843029   0.281011  -0.130695   0.075316  -0.007811
     7  C   -0.767292  -0.413350  -0.134788  -0.199191  -0.075553   0.099280
     8  C    0.054892   0.113394  -1.480444   0.232531  -0.258719   0.245696
     9  C   -0.049974  -0.125848  -0.117853   0.134450   0.406287   0.063064
    10  C    0.012228   0.029106   0.162904  -0.036756  -0.090749   0.052098
    11  C    0.000338  -0.017450   0.005603   0.000464   0.001245  -0.000967
    12  C    0.000493  -0.001538   0.000822   0.000047   0.000188  -0.000112
    13  O   -0.000149   0.000032   0.000012   0.000006  -0.000001   0.000003
    14  O    0.000020  -0.000033   0.000026   0.000014   0.000007   0.000002
    15  H    0.031922  -0.145862  -0.002445   0.001464   0.013660  -0.003967
    16  H   -0.003755   0.023365   0.001979  -0.000060  -0.000785   0.000258
    17  H    0.006631   0.001316   0.003396   0.000110  -0.000488   0.000071
    18  H   -0.061332   0.000631  -0.066008   0.014099   0.004962  -0.004315
    19  H    2.417751  -0.449633   0.009547  -0.067264  -0.010281   0.026757
    20  H   -0.449633   2.660701   0.099468   0.008656  -0.055492   0.015916
    21  H    0.009547   0.099468   2.910603  -0.088865   0.117310  -0.094847
    22  H   -0.067264   0.008656  -0.088865   1.707199  -0.265675  -0.425531
    23  H   -0.010281  -0.055492   0.117310  -0.265675   1.579213  -0.380561
    24  H    0.026757   0.015916  -0.094847  -0.425531  -0.380561   1.783372
    25  H    0.009772   0.032521   0.129880  -0.000931   0.003848  -0.021410
    26  H    0.027851  -0.017377  -0.071511  -0.020500   0.004218   0.020983
    27  H   -0.010856   0.005459  -0.055165   0.029439  -0.014516  -0.027113
    28  H    0.000145  -0.001813  -0.000535   0.000048   0.000031  -0.000035
    29  C   -0.001691  -0.001660   0.001719   0.000026   0.000111  -0.000084
    30  H    0.000000   0.000006   0.000064  -0.000002   0.000007  -0.000003
    31  H   -0.000452  -0.000041   0.000421  -0.000035   0.000012  -0.000000
    32  H    0.000259   0.000124   0.000010   0.000002  -0.000000  -0.000007
    33  H   -0.000587  -0.000604   0.000232   0.000030   0.000040  -0.000017
              25         26         27         28         29         30
     1  C    0.181418  -0.027745  -0.016498  -0.047691  -0.020809  -0.005152
     2  C   -0.125391   0.022540   0.051655   0.004741  -0.158376  -0.000333
     3  C    0.083965  -0.171029   0.033523  -0.025219   0.304121  -0.007426
     4  C   -0.001235   0.067131  -0.006302   0.770046  -0.524604   0.032727
     5  C    0.015773   0.004738   0.001598  -0.097479  -0.576646  -0.023961
     6  C   -0.086823   0.155300  -0.057620  -0.057559   0.014843   0.005893
     7  C   -0.230393  -0.154570   0.077257  -0.005649  -0.061529  -0.000023
     8  C    0.007917   0.330621  -0.101078   0.002359  -0.003940  -0.000001
     9  C   -0.089955  -0.094145   0.079840   0.000020  -0.000155   0.000023
    10  C    0.240450   0.130400   0.137375  -0.000431  -0.001137  -0.000182
    11  C   -0.001509  -0.002833  -0.000186  -1.522323   0.548415   0.018434
    12  C    0.000315  -0.001468   0.001005   0.173562   0.089464  -0.054320
    13  O   -0.000003  -0.000062  -0.000034  -0.001728  -0.009640  -0.038592
    14  O   -0.000048  -0.000751  -0.000049  -0.044857  -0.004274   0.300819
    15  H   -0.023134   0.000750   0.008874   0.007796   0.008812   0.000059
    16  H    0.003004  -0.004449  -0.001675  -0.169794   0.003768  -0.000731
    17  H    0.001682  -0.004401  -0.000763  -0.016891   0.010034   0.001930
    18  H   -0.010938   0.018861   0.004175   0.003687   0.001052  -0.000012
    19  H    0.009772   0.027851  -0.010856   0.000145  -0.001691   0.000000
    20  H    0.032521  -0.017377   0.005459  -0.001813  -0.001660   0.000006
    21  H    0.129880  -0.071511  -0.055165  -0.000535   0.001719   0.000064
    22  H   -0.000931  -0.020500   0.029439   0.000048   0.000026  -0.000002
    23  H    0.003848   0.004218  -0.014516   0.000031   0.000111   0.000007
    24  H   -0.021410   0.020983  -0.027113  -0.000035  -0.000084  -0.000003
    25  H    1.687400  -0.283626  -0.388743  -0.000472   0.000334   0.000022
    26  H   -0.283626   1.860726  -0.531521  -0.000121   0.000897  -0.000000
    27  H   -0.388743  -0.531521   2.033135   0.000356  -0.000209  -0.000057
    28  H   -0.000472  -0.000121   0.000356   2.462098   0.071400   0.005654
    29  C    0.000334   0.000897  -0.000209   0.071400   4.808085   0.011285
    30  H    0.000022  -0.000000  -0.000057   0.005654   0.011285   0.578985
    31  H   -0.000018   0.000057  -0.000048   0.073821   0.600814   0.003096
    32  H    0.000039   0.000193   0.000015   0.006431  -0.224558   0.000579
    33  H    0.000037  -0.000430  -0.000018  -0.020213   0.098744  -0.000834
              31         32         33
     1  C    0.022303  -0.032612   0.044801
     2  C   -0.066583   0.052631  -0.045503
     3  C    0.148289  -0.269970   0.188039
     4  C    0.009642   0.910327  -0.711671
     5  C   -0.319798   0.152363   0.067509
     6  C   -0.037242  -0.002410  -0.016585
     7  C   -0.008730   0.002658  -0.015475
     8  C    0.000496  -0.000644   0.000175
     9  C   -0.000044  -0.000045   0.000071
    10  C   -0.000661   0.000207  -0.000260
    11  C   -0.266395  -0.536150   0.671251
    12  C    0.063700   0.013060  -0.121394
    13  O    0.007841   0.000933   0.017751
    14  O   -0.009334   0.001897   0.007192
    15  H   -0.001101   0.000363   0.003188
    16  H    0.009330   0.001127  -0.009640
    17  H   -0.072654   0.010508   0.012200
    18  H    0.000821  -0.001050  -0.002008
    19  H   -0.000452   0.000259  -0.000587
    20  H   -0.000041   0.000124  -0.000604
    21  H    0.000421   0.000010   0.000232
    22  H   -0.000035   0.000002   0.000030
    23  H    0.000012  -0.000000   0.000040
    24  H   -0.000000  -0.000007  -0.000017
    25  H   -0.000018   0.000039   0.000037
    26  H    0.000057   0.000193  -0.000430
    27  H   -0.000048   0.000015  -0.000018
    28  H    0.073821   0.006431  -0.020213
    29  C    0.600814  -0.224558   0.098744
    30  H    0.003096   0.000579  -0.000834
    31  H    1.613533  -0.317157  -0.299129
    32  H   -0.317157   1.828942  -0.352227
    33  H   -0.299129  -0.352227   1.670651
 Mulliken charges:
               1
     1  C   -0.108873
     2  C    1.172639
     3  C    0.156171
     4  C    0.549774
     5  C    1.134020
     6  C    0.566441
     7  C    1.672443
     8  C   -0.732076
     9  C    1.037173
    10  C    1.142137
    11  C    0.285052
    12  C    0.915734
    13  O   -0.529941
    14  O   -0.531207
    15  H   -0.926870
    16  H   -0.916114
    17  H   -1.023817
    18  H   -1.043179
    19  H   -0.537257
    20  H   -0.533292
    21  H   -0.621935
    22  H   -0.191494
    23  H   -0.137546
    24  H   -0.186399
    25  H   -0.133746
    26  H   -0.258725
    27  H   -0.251254
    28  H   -0.569389
    29  C    1.015390
    30  H    0.172046
    31  H   -0.154754
    32  H   -0.245837
    33  H   -0.185316
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.035743
     2  C    1.172639
     3  C   -0.759943
     4  C    0.549774
     5  C    0.110203
     6  C   -0.476738
     7  C    0.601895
     8  C   -1.354010
     9  C    0.521735
    10  C    0.498412
    11  C   -0.284337
    12  C    0.915734
    13  O   -0.529941
    14  O   -0.359161
    29  C    0.429483
 Electronic spatial extent (au):  <R**2>=           4601.1820
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0548    Y=             -0.0538    Z=              1.2509  Tot=              1.6371
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.7376   YY=            -89.2777   ZZ=            -91.7122
   XY=             -0.1659   XZ=             -6.7594   YZ=             -0.1423
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1617   YY=              1.2981   ZZ=             -1.1364
   XY=             -0.1659   XZ=             -6.7594   YZ=             -0.1423
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.9103  YYY=             40.8712  ZZZ=              3.9894  XYY=            -26.8255
  XXY=              2.9955  XXZ=             25.9722  XZZ=              8.4195  YZZ=             -6.6020
  YYZ=             -2.7483  XYZ=             -4.7651
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5015.8974 YYYY=           -644.9382 ZZZZ=           -519.9363 XXXY=            -35.0888
 XXXZ=            -98.1576 YYYX=           -110.2040 YYYZ=             -2.3245 ZZZX=            -12.9276
 ZZZY=              0.4310 XXYY=           -868.3147 XXZZ=           -961.9535 YYZZ=           -223.8667
 XXYZ=             11.1545 YYXZ=             -4.9225 ZZXY=              4.6866
 N-N= 9.729722511672D+02 E-N=-3.473091327030D+03  KE= 6.526018605472D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 17:00:51 2021, MaxMem=  6442450944 cpu:               5.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.03530702D-01-1.96657508D-03 4.77743365D-01
 Polarizability= 2.06967458D+02-4.63355540D-01 1.26884029D+02
                 2.01431848D-01-5.06064516D-02 1.45142815D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2937   -0.2938       -0.3560   -0.3558
 2      0.2937    0.2938        0.0055    0.0065      -42.1784  -42.1798
 3      0.3560    0.3558       32.6684   32.6673       -0.0047   -0.0065
 4     -0.0055   -0.0065        0.0000    0.0000        0.3531    0.3558
 5      9.5100    9.5126       -0.3531   -0.3558       -0.2913   -0.2938
 6      0.0047    0.0065        0.2913    0.2938        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8815    0.8815       -1.0675   -1.0675
 2     -0.0194   -0.0194        0.0000    0.0000       -1.0675   -1.0675
 3     -0.0194   -0.0194        0.8815    0.8815       -0.0000    0.0000
 4      0.8815    0.8815        0.0194    0.0194     -126.5395 -126.5395
 5      1.0675    1.0675       98.0018   98.0018       -0.0194   -0.0194
 6     28.5377   28.5377       -1.0675   -1.0675       -0.8815   -0.8815
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0751    0.0000        2.0940    1.1754        1.6425    1.4234
 2     -1.5069   -1.1754       -0.2400   -0.0258      168.8219  168.7193
 3     -1.6728   -1.4234     -130.5792 -130.6691        0.1511    0.0258
 4     -0.0287    0.0258        0.3108    0.0000       -1.5646   -1.4234
 5    -37.7136  -38.0503        1.4042    1.4234        1.1333    1.1754
 6     -0.0853   -0.0258       -1.3002   -1.1754        0.1202    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1999    0.0000      -75.1288  -75.6845       45.9802   46.2448
 2     76.0478   75.6845        9.1449    8.8890      -23.0969  -23.5710
 3    -46.3657  -46.2448       10.4544   10.5408       -9.8311   -8.8890
 4     -8.6384   -8.8890       -0.9657    0.0000      -46.3728  -46.2448
 5     12.3137   13.0302       46.7700   46.2448      -76.2908  -75.6845
 6      8.5060    8.8890       75.7355   75.6845        0.1849    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -19.9906  -20.3243       -8.5324   -8.3945      -59.3508  -59.7481
 2    -29.3198  -30.2072      -66.8966  -66.5498      -60.2518  -59.7481
 3    -29.2665  -30.2072       -9.0487   -8.3945     -110.4976 -110.2126
 4     58.4809   58.1553       10.2097    9.8830      -13.4731  -14.1732
 5    -50.8155  -50.4646        6.5863    6.8106      -10.2711   -9.8830
 6      6.0749    7.3626       51.2567   50.4646      -58.7492  -58.1553
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3361   -0.0008   -0.0008   -0.0007    2.5083    3.8064
 Low frequencies ---   25.4144   35.9025   46.6889
 Diagonal vibrational polarizability:
       45.5261352      24.1615779       6.1822011
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     25.4009                35.8993                46.6858
 Red. masses --      3.4921                 6.1249                 4.4143
 Frc consts  --      0.0013                 0.0047                 0.0057
 IR Inten    --      0.2749                 0.9499                 0.7728
 RamAct Fr= 1--      0.2556                 0.8930                 1.5962
  Dep-P Fr= 1--      0.7130                 0.7030                 0.7496
  Dep-U Fr= 1--      0.8325                 0.8256                 0.8569
 Alpha2 Fr= 1--      0.0002                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0355                 0.1229                 0.2280
 AlphaG Fr= 1--      0.0004                 0.0039                 0.0005
 Gamma2 Fr= 1--     -0.5704                -0.0422                 0.6365
 Delta2 Fr= 1--     -0.5666                 0.3100                 0.0926
 Raman1 Fr= 1--       1.022                  3.572                  6.385
 ROA1   Fr= 1--     -72.889                  5.871                 64.067
 CID1   Fr= 1--     -71.301                  1.644                 10.035
 Raman2 Fr= 1--       0.426                  1.474                  2.735
 ROA2   Fr= 1--      -9.157                 -3.493                 14.535
 CID2   Fr= 1--     -21.520                 -2.369                  5.314
 Raman3 Fr= 1--       0.851                  2.949                  5.471
 ROA3   Fr= 1--     -72.889                  5.871                 64.067
 CID3   Fr= 1--     -85.651                  1.991                 11.710
 RC180  Fr= 1--       0.665                  0.651                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.05    -0.00  -0.05  -0.01     0.02   0.06  -0.02
     2   6    -0.00   0.02  -0.06    -0.01  -0.07  -0.02    -0.00  -0.06  -0.03
     3   6     0.03  -0.01  -0.01    -0.00  -0.06  -0.01     0.03   0.07  -0.00
     4   6     0.01   0.05   0.01    -0.01  -0.08  -0.01     0.00  -0.04   0.00
     5   6    -0.02   0.10  -0.00    -0.01  -0.12  -0.01    -0.03  -0.18  -0.02
     6   6    -0.02   0.08  -0.04    -0.01  -0.11  -0.02    -0.03  -0.19  -0.03
     7   6    -0.01  -0.00  -0.10    -0.00   0.01  -0.02    -0.00  -0.00  -0.06
     8   6     0.02   0.02   0.06    -0.08   0.06   0.02    -0.07   0.06   0.04
     9   6     0.01   0.01  -0.02    -0.06   0.17   0.06    -0.08   0.14  -0.09
    10   6     0.10  -0.12   0.21    -0.18   0.03   0.04    -0.03  -0.07   0.16
    11   6     0.01   0.04   0.05     0.00  -0.00  -0.00     0.01   0.02   0.03
    12   6    -0.04  -0.02  -0.04     0.08   0.03  -0.00     0.08   0.03  -0.01
    13   8    -0.11  -0.13  -0.03    -0.14   0.01   0.07     0.27   0.05  -0.07
    14   8    -0.00   0.06  -0.14     0.45   0.07  -0.10    -0.10   0.01   0.04
    15   1     0.04  -0.08  -0.07     0.01  -0.03  -0.02     0.04   0.15  -0.02
    16   1     0.05  -0.05  -0.00     0.01  -0.03  -0.01     0.05   0.17   0.01
    17   1    -0.04   0.14   0.02    -0.02  -0.14  -0.01    -0.05  -0.27  -0.01
    18   1    -0.04   0.12  -0.05    -0.02  -0.13  -0.02    -0.05  -0.29  -0.04
    19   1    -0.04   0.09  -0.19     0.04   0.05  -0.04     0.01   0.08  -0.13
    20   1    -0.00  -0.13  -0.16     0.02   0.01  -0.03     0.03  -0.06  -0.10
    21   1     0.00   0.16   0.13    -0.09   0.05   0.02    -0.15   0.14   0.11
    22   1    -0.04   0.12  -0.13     0.00   0.19   0.05    -0.11   0.24  -0.18
    23   1     0.03  -0.13  -0.10    -0.06   0.19   0.06    -0.00   0.06  -0.17
    24   1     0.03   0.03   0.09    -0.12   0.20   0.08    -0.13   0.19  -0.02
    25   1     0.12  -0.27   0.14    -0.18   0.04   0.04     0.05  -0.15   0.09
    26   1     0.11  -0.11   0.27    -0.19  -0.03   0.01    -0.02  -0.12   0.25
    27   1     0.12  -0.11   0.32    -0.22   0.06   0.06    -0.07  -0.03   0.22
    28   1     0.04   0.12   0.05     0.01   0.02  -0.00     0.03   0.06   0.03
    29   6     0.02  -0.03   0.17    -0.07   0.04   0.01    -0.06   0.05   0.06
    30   1    -0.04   0.01  -0.20     0.48   0.08  -0.10    -0.04   0.02   0.01
    31   1    -0.00  -0.11   0.17    -0.08   0.00   0.02    -0.10   0.02   0.06
    32   1     0.02  -0.04   0.19    -0.07   0.11   0.01    -0.06   0.10   0.09
    33   1     0.05   0.02   0.24    -0.14   0.02   0.03    -0.10   0.04   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --     53.2514                63.8777               113.7648
 Red. masses --      3.7305                 3.2120                 4.4565
 Frc consts  --      0.0062                 0.0077                 0.0340
 IR Inten    --      0.4958                 0.0398                 0.0880
 RamAct Fr= 1--      3.1018                 1.9052                 2.3402
  Dep-P Fr= 1--      0.7379                 0.7475                 0.7186
  Dep-U Fr= 1--      0.8492                 0.8555                 0.8363
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0013
 Beta2  Fr= 1--      0.4390                 0.2717                 0.3262
 AlphaG Fr= 1--      0.0002                 0.0001                -0.0024
 Gamma2 Fr= 1--      0.6442                -0.8696                 1.2082
 Delta2 Fr= 1--      0.8498                -0.5466                 0.6689
 Raman1 Fr= 1--      12.407                  7.621                  9.361
 ROA1   Fr= 1--      89.033               -100.976                137.391
 CID1   Fr= 1--       7.176                -13.250                 14.677
 Raman2 Fr= 1--       5.268                  3.260                  3.914
 ROA2   Fr= 1--       8.661                -16.499                 23.645
 CID2   Fr= 1--       1.644                 -5.061                  6.041
 Raman3 Fr= 1--      10.536                  6.520                  7.828
 ROA3   Fr= 1--      89.033               -100.976                137.391
 CID3   Fr= 1--       8.451                -15.488                 17.551
 RC180  Fr= 1--       0.698                  0.711                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.03     0.05   0.12  -0.08    -0.04   0.06  -0.03
     2   6    -0.01   0.06   0.03     0.01   0.01  -0.10    -0.06   0.15  -0.04
     3   6    -0.03   0.16  -0.00     0.05   0.13  -0.05    -0.05  -0.07  -0.00
     4   6    -0.02  -0.01  -0.03     0.01   0.02  -0.04    -0.08  -0.11   0.01
     5   6    -0.01  -0.11  -0.02    -0.02  -0.07  -0.06    -0.10  -0.02   0.00
     6   6    -0.00  -0.08   0.01    -0.03  -0.08  -0.09    -0.09   0.12  -0.02
     7   6    -0.01   0.03   0.04     0.01  -0.02  -0.11    -0.06   0.13  -0.05
     8   6     0.03   0.01   0.04     0.06  -0.02   0.01     0.07   0.07  -0.01
     9   6    -0.00  -0.06  -0.11     0.10  -0.04   0.24     0.06  -0.11   0.07
    10   6     0.19  -0.03   0.11    -0.09  -0.02  -0.02     0.14   0.09  -0.01
    11   6    -0.03  -0.06  -0.06     0.02   0.01   0.02    -0.08  -0.08   0.04
    12   6    -0.05  -0.03   0.02    -0.03  -0.00   0.04     0.07  -0.05   0.00
    13   8    -0.16   0.02   0.06    -0.07   0.00   0.06     0.19  -0.03  -0.04
    14   8     0.08  -0.05   0.04    -0.05  -0.01   0.06     0.12  -0.06  -0.00
    15   1    -0.03   0.30   0.05     0.07   0.19  -0.09    -0.02   0.07  -0.05
    16   1    -0.04   0.25  -0.00     0.08   0.21  -0.03    -0.04  -0.13   0.00
    17   1    -0.00  -0.22  -0.04    -0.05  -0.15  -0.05    -0.13  -0.03   0.02
    18   1     0.01  -0.17   0.01    -0.06  -0.16  -0.11    -0.11   0.18  -0.03
    19   1    -0.03   0.03   0.04    -0.00   0.04  -0.16    -0.10   0.13  -0.06
    20   1    -0.02   0.02   0.04    -0.02  -0.10  -0.13    -0.09   0.07  -0.06
    21   1    -0.03   0.08   0.10     0.20  -0.00  -0.06     0.16   0.12  -0.03
    22   1    -0.12  -0.01  -0.18     0.22  -0.06   0.28     0.03  -0.12   0.08
    23   1     0.05  -0.15  -0.19    -0.05  -0.03   0.33    -0.04  -0.18   0.10
    24   1     0.03  -0.07  -0.09     0.15  -0.05   0.30     0.20  -0.17   0.12
    25   1     0.29  -0.09   0.04    -0.27  -0.05   0.06     0.06   0.03   0.00
    26   1     0.22   0.00   0.24    -0.11   0.04  -0.20     0.15   0.20  -0.06
    27   1     0.20  -0.04   0.10     0.01  -0.04   0.07     0.25   0.03   0.01
    28   1    -0.06  -0.13  -0.06     0.06  -0.00   0.03    -0.06  -0.05   0.04
    29   6     0.01  -0.03  -0.15     0.01  -0.00   0.05    -0.18  -0.04   0.07
    30   1     0.06  -0.03   0.09    -0.09  -0.01   0.07     0.26  -0.03  -0.03
    31   1     0.02   0.04  -0.15    -0.05   0.00   0.04    -0.19  -0.08   0.07
    32   1     0.01  -0.06  -0.16     0.01  -0.02   0.10    -0.17   0.06   0.07
    33   1     0.02  -0.06  -0.20     0.05  -0.00   0.03    -0.26  -0.06   0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    152.6235               208.2750               224.7085
 Red. masses --      3.8044                 2.3701                 1.2073
 Frc consts  --      0.0522                 0.0606                 0.0359
 IR Inten    --      0.0890                 0.5985                 0.4957
 RamAct Fr= 1--      0.8197                 0.3576                 0.0553
  Dep-P Fr= 1--      0.1233                 0.1707                 0.6912
  Dep-U Fr= 1--      0.2196                 0.2916                 0.8174
 Alpha2 Fr= 1--      0.0135                 0.0052                 0.0001
 Beta2  Fr= 1--      0.0300                 0.0174                 0.0075
 AlphaG Fr= 1--      0.0030                -0.0072                -0.0002
 Gamma2 Fr= 1--      0.0156                -0.3212                 0.0600
 Delta2 Fr= 1--     -0.0585                -0.0163                 0.0539
 Raman1 Fr= 1--       3.279                  1.430                  0.221
 ROA1   Fr= 1--      -0.371                -31.354                  7.488
 CID1   Fr= 1--      -0.113                -21.919                 33.850
 Raman2 Fr= 1--       0.360                  0.209                  0.090
 ROA2   Fr= 1--       0.843                 -7.578                  1.010
 CID2   Fr= 1--       2.343                -36.333                 11.167
 Raman3 Fr= 1--       0.720                  0.417                  0.181
 ROA3   Fr= 1--      -0.371                -31.354                  7.488
 CID3   Fr= 1--      -0.515                -75.166                 41.412
 RC180  Fr= 1--      -0.561                 -0.417                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10   0.03    -0.04   0.05  -0.02    -0.01   0.03  -0.01
     2   6    -0.05   0.03  -0.00    -0.01   0.01  -0.00     0.01   0.01   0.00
     3   6     0.02   0.13   0.09    -0.04   0.07  -0.08    -0.01   0.03  -0.02
     4   6    -0.01   0.08   0.10     0.01   0.04  -0.11     0.00   0.00  -0.03
     5   6    -0.06   0.11   0.08     0.04   0.07  -0.09     0.02   0.02  -0.03
     6   6    -0.07   0.09   0.03     0.04   0.06  -0.04     0.02   0.03  -0.01
     7   6    -0.08  -0.05  -0.10    -0.01  -0.04   0.09     0.00  -0.02   0.02
     8   6    -0.07  -0.04  -0.04    -0.04  -0.04   0.04    -0.00  -0.02   0.01
     9   6    -0.07  -0.03  -0.00    -0.05  -0.02  -0.01    -0.00   0.01  -0.02
    10   6    -0.13  -0.10   0.00    -0.04  -0.02   0.01    -0.02  -0.03   0.01
    11   6    -0.01  -0.04   0.03     0.02  -0.02  -0.03     0.00  -0.01  -0.02
    12   6     0.05  -0.04   0.00     0.01  -0.02  -0.00     0.00  -0.01  -0.01
    13   8     0.13  -0.04  -0.02     0.05   0.04  -0.01    -0.00   0.03  -0.00
    14   8     0.10  -0.04  -0.01     0.06  -0.07   0.05     0.01  -0.04   0.03
    15   1     0.05   0.10   0.00    -0.07   0.06  -0.00    -0.02   0.04   0.00
    16   1     0.05   0.14   0.10    -0.08   0.09  -0.10    -0.02   0.04  -0.03
    17   1    -0.10   0.12   0.11     0.06   0.09  -0.11     0.03   0.03  -0.03
    18   1    -0.10   0.08   0.01     0.09   0.06  -0.02     0.04   0.04  -0.00
    19   1    -0.16   0.00  -0.17     0.03  -0.09   0.16     0.00  -0.03   0.03
    20   1    -0.03  -0.13  -0.16    -0.07   0.03   0.15    -0.01  -0.01   0.03
    21   1    -0.05  -0.01  -0.03    -0.08  -0.08   0.04    -0.02  -0.03   0.01
    22   1    -0.05  -0.01  -0.02    -0.07  -0.04   0.00     0.00  -0.10   0.09
    23   1    -0.09  -0.05  -0.00    -0.00   0.03  -0.02     0.06   0.18   0.03
    24   1    -0.07  -0.02   0.03    -0.08  -0.01  -0.07    -0.07   0.00  -0.18
    25   1    -0.24  -0.18   0.03     0.07   0.06  -0.01    -0.08  -0.06   0.02
    26   1    -0.14  -0.05  -0.09    -0.05  -0.11   0.09    -0.02   0.01  -0.04
    27   1    -0.05  -0.11   0.11    -0.15   0.02  -0.06     0.03  -0.04   0.05
    28   1    -0.12  -0.10   0.01     0.11   0.02  -0.01     0.02   0.02  -0.02
    29   6     0.18  -0.08  -0.12     0.00  -0.09   0.14    -0.02  -0.03   0.05
    30   1     0.20  -0.02  -0.04     0.13  -0.02   0.08     0.01  -0.02   0.06
    31   1     0.32  -0.00  -0.10    -0.37   0.01   0.07     0.36  -0.39   0.13
    32   1     0.15  -0.22  -0.25     0.04  -0.29   0.54    -0.06   0.24  -0.38
    33   1     0.23  -0.07  -0.13     0.32  -0.06  -0.04    -0.38   0.04   0.45
                     10                     11                     12
                      A                      A                      A
 Frequencies --    226.3691               249.3045               251.4715
 Red. masses --      1.0858                 2.2589                 1.2286
 Frc consts  --      0.0328                 0.0827                 0.0458
 IR Inten    --      0.0944                 0.3138                 0.0769
 RamAct Fr= 1--      0.1538                 1.8236                 0.1257
  Dep-P Fr= 1--      0.6885                 0.5240                 0.5725
  Dep-U Fr= 1--      0.8155                 0.6877                 0.7282
 Alpha2 Fr= 1--      0.0002                 0.0080                 0.0004
 Beta2  Fr= 1--      0.0209                 0.2090                 0.0153
 AlphaG Fr= 1--     -0.0013                 0.0066                 0.0052
 Gamma2 Fr= 1--     -0.1441                 0.1884                -0.3024
 Delta2 Fr= 1--     -0.0481                -0.0447                -0.0125
 Raman1 Fr= 1--       0.615                  7.294                  0.503
 ROA1   Fr= 1--     -15.374                 16.661                -29.427
 CID1   Fr= 1--     -24.988                  2.284                -58.533
 Raman2 Fr= 1--       0.251                  2.508                  0.183
 ROA2   Fr= 1--      -3.074                  4.880                 -7.158
 CID2   Fr= 1--     -12.252                  1.946                -39.103
 Raman3 Fr= 1--       0.502                  5.016                  0.366
 ROA3   Fr= 1--     -15.374                 16.661                -29.427
 CID3   Fr= 1--     -30.639                  3.321                -80.385
 RC180  Fr= 1--       0.631                  0.375                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.03  -0.08  -0.02    -0.01  -0.02  -0.03
     2   6     0.01   0.01   0.01    -0.04  -0.03  -0.02    -0.02  -0.02  -0.04
     3   6    -0.00  -0.01   0.01    -0.02  -0.05  -0.01    -0.00  -0.01   0.00
     4   6    -0.00  -0.01   0.00     0.00   0.03  -0.01    -0.01   0.02   0.02
     5   6     0.00  -0.00   0.01    -0.02  -0.05  -0.03    -0.04  -0.01   0.00
     6   6     0.01   0.01   0.01    -0.03  -0.09  -0.03    -0.04  -0.03  -0.03
     7   6     0.01  -0.01  -0.01    -0.04   0.07   0.02    -0.02   0.00  -0.02
     8   6     0.01  -0.01  -0.00    -0.04   0.07   0.03     0.00   0.00   0.02
     9   6     0.01   0.03  -0.03    -0.07  -0.07   0.00     0.01   0.01   0.04
    10   6     0.01  -0.03   0.02     0.05   0.10   0.02     0.05   0.02   0.01
    11   6    -0.01  -0.01   0.00     0.02   0.04  -0.01    -0.01   0.01   0.02
    12   6    -0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.01   0.01
    13   8    -0.00  -0.01  -0.00    -0.00   0.08  -0.01     0.01   0.00   0.00
    14   8    -0.00   0.00  -0.01     0.01   0.02   0.01     0.00   0.02  -0.00
    15   1    -0.00   0.01   0.01    -0.02  -0.11  -0.03     0.01  -0.04  -0.04
    16   1    -0.00  -0.01   0.01    -0.03  -0.06  -0.02     0.02  -0.01   0.01
    17   1     0.01  -0.00   0.00    -0.03  -0.05  -0.02    -0.06  -0.01   0.02
    18   1     0.01   0.01   0.01    -0.02  -0.12  -0.03    -0.07  -0.04  -0.04
    19   1    -0.02   0.00  -0.02     0.02   0.08   0.02    -0.00   0.03  -0.03
    20   1     0.02  -0.03  -0.02    -0.04   0.09   0.02    -0.04  -0.03  -0.02
    21   1     0.00   0.00   0.00    -0.03   0.09   0.03     0.00   0.01   0.02
    22   1     0.03  -0.27   0.24    -0.17  -0.11   0.02     0.04  -0.28   0.29
    23   1     0.12   0.44   0.09    -0.10  -0.11   0.00     0.06   0.37   0.17
    24   1    -0.11  -0.02  -0.43     0.03  -0.13  -0.03    -0.07  -0.05  -0.31
    25   1    -0.27  -0.20   0.08    -0.25  -0.06   0.10     0.42   0.20  -0.09
    26   1     0.01   0.19  -0.19     0.07   0.43  -0.19     0.06  -0.22   0.31
    27   1     0.28  -0.12   0.19     0.40  -0.04   0.14    -0.25   0.12  -0.19
    28   1    -0.00  -0.01   0.00     0.02   0.06  -0.01    -0.03  -0.00   0.01
    29   6    -0.03   0.02  -0.01     0.17  -0.07   0.05     0.05  -0.02  -0.01
    30   1    -0.01  -0.00  -0.02     0.01   0.03   0.03     0.02   0.01  -0.02
    31   1    -0.19   0.14  -0.05     0.26  -0.17   0.07     0.10  -0.01  -0.00
    32   1    -0.02  -0.04   0.15     0.15  -0.20  -0.03     0.04  -0.07  -0.05
    33   1     0.07  -0.02  -0.16     0.26   0.02   0.17     0.08   0.00   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    289.0495               322.6360               354.2302
 Red. masses --      3.7526                 2.6800                 3.3376
 Frc consts  --      0.1847                 0.1644                 0.2468
 IR Inten    --      1.5181                 0.2158                 1.2678
 RamAct Fr= 1--      1.9323                 0.4124                 2.2526
  Dep-P Fr= 1--      0.1082                 0.4691                 0.5230
  Dep-U Fr= 1--      0.1953                 0.6386                 0.6868
 Alpha2 Fr= 1--      0.0332                 0.0023                 0.0099
 Beta2  Fr= 1--      0.0629                 0.0439                 0.2579
 AlphaG Fr= 1--      0.0078                -0.0041                -0.0110
 Gamma2 Fr= 1--     -0.2498                -0.1395                 0.3492
 Delta2 Fr= 1--     -0.2614                -0.0785                 0.0301
 Raman1 Fr= 1--       7.729                  1.650                  9.010
 ROA1   Fr= 1--     -32.346                -15.905                 34.487
 CID1   Fr= 1--      -4.185                 -9.641                  3.828
 Raman2 Fr= 1--       0.755                  0.527                  3.094
 ROA2   Fr= 1--      -3.905                 -2.720                  8.140
 CID2   Fr= 1--      -5.174                 -5.163                  2.631
 Raman3 Fr= 1--       1.509                  1.054                  6.189
 ROA3   Fr= 1--     -32.346                -15.905                 34.487
 CID3   Fr= 1--     -21.429                -15.097                  5.573
 RC180  Fr= 1--      -0.609                  0.277                  0.374
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.06    -0.06  -0.03  -0.07    -0.03   0.07  -0.00
     2   6     0.01   0.00   0.06    -0.04  -0.05  -0.06    -0.01   0.19   0.01
     3   6    -0.05  -0.02   0.05    -0.05   0.04  -0.04    -0.04  -0.12  -0.03
     4   6    -0.07   0.00   0.05    -0.06   0.06  -0.02    -0.01  -0.12  -0.03
     5   6    -0.04  -0.03   0.08    -0.07   0.04  -0.03    -0.03  -0.15  -0.04
     6   6    -0.03  -0.03   0.08    -0.06  -0.03  -0.06    -0.00   0.08  -0.01
     7   6     0.03  -0.03  -0.08     0.02  -0.06   0.12    -0.01   0.08   0.08
     8   6     0.10  -0.03  -0.07     0.05  -0.08   0.03     0.06  -0.01  -0.05
     9   6     0.15   0.14   0.00     0.09   0.14  -0.01     0.07  -0.02  -0.05
    10   6     0.05  -0.07  -0.05     0.08  -0.00  -0.04    -0.11  -0.14   0.02
    11   6    -0.09   0.01  -0.07    -0.06  -0.00   0.07     0.02   0.02   0.03
    12   6    -0.06   0.04  -0.10    -0.02  -0.01   0.08     0.02   0.05   0.05
    13   8    -0.05   0.21  -0.09     0.07  -0.09   0.04     0.01   0.00   0.05
    14   8     0.01  -0.05   0.01     0.01   0.06  -0.00    -0.03   0.13  -0.02
    15   1    -0.06  -0.03   0.07    -0.07  -0.04  -0.07    -0.03   0.08  -0.00
    16   1    -0.04  -0.04   0.06    -0.02   0.05  -0.03    -0.07  -0.18  -0.04
    17   1    -0.02  -0.05   0.06    -0.07   0.07  -0.02    -0.03  -0.25  -0.05
    18   1    -0.05  -0.04   0.07    -0.10  -0.05  -0.07     0.02   0.11  -0.01
    19   1    -0.08  -0.01  -0.13     0.14  -0.19   0.27    -0.02  -0.10   0.23
    20   1     0.10  -0.09  -0.13    -0.14   0.08   0.25    -0.10   0.23   0.18
    21   1     0.12  -0.02  -0.08     0.01  -0.14   0.02     0.07  -0.02  -0.06
    22   1     0.32   0.28  -0.08     0.22   0.33  -0.14     0.04  -0.04  -0.04
    23   1     0.14   0.11  -0.01     0.17   0.08  -0.08     0.09  -0.01  -0.06
    24   1     0.03   0.25   0.16    -0.09   0.28   0.16     0.07  -0.03  -0.09
    25   1     0.06  -0.09  -0.06    -0.07  -0.03   0.02    -0.10  -0.18  -0.01
    26   1     0.04  -0.13  -0.04     0.09   0.18  -0.15    -0.16  -0.38  -0.01
    27   1     0.01  -0.05  -0.01     0.27  -0.09  -0.04    -0.29  -0.01   0.17
    28   1    -0.16   0.10  -0.09    -0.03  -0.07   0.08     0.05  -0.01   0.04
    29   6     0.02  -0.14   0.08     0.03  -0.01  -0.03     0.12  -0.02   0.01
    30   1     0.10   0.02   0.09     0.11   0.03  -0.09    -0.09   0.06  -0.11
    31   1    -0.06  -0.23   0.06     0.15   0.04  -0.01     0.19  -0.01   0.02
    32   1     0.02  -0.31   0.17     0.01  -0.06  -0.15     0.10  -0.15  -0.06
    33   1     0.21  -0.04   0.14     0.02  -0.01  -0.03     0.21   0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    384.3972               411.2754               419.7059
 Red. masses --      2.9772                 2.6923                 2.6777
 Frc consts  --      0.2592                 0.2683                 0.2779
 IR Inten    --      0.3760                 0.3163                 0.2616
 RamAct Fr= 1--      0.5068                 3.9143                 0.5459
  Dep-P Fr= 1--      0.1269                 0.1330                 0.1149
  Dep-U Fr= 1--      0.2252                 0.2347                 0.2060
 Alpha2 Fr= 1--      0.0083                 0.0632                 0.0092
 Beta2  Fr= 1--      0.0190                 0.1531                 0.0187
 AlphaG Fr= 1--      0.0120                 0.0593                -0.0442
 Gamma2 Fr= 1--      0.2898                 1.3625                -0.4139
 Delta2 Fr= 1--      0.0303                -0.1733                -0.1181
 Raman1 Fr= 1--       2.027                 15.657                  2.184
 ROA1   Fr= 1--      28.790                125.259                -43.515
 CID1   Fr= 1--      14.202                  8.000                -19.928
 Raman2 Fr= 1--       0.228                  1.837                  0.225
 ROA2   Fr= 1--       6.713                 34.087                 -8.989
 CID2   Fr= 1--      29.411                 18.552                -39.955
 Raman3 Fr= 1--       0.457                  3.675                  0.450
 ROA3   Fr= 1--      28.790                125.259                -43.515
 CID3   Fr= 1--      63.066                 34.086                -96.713
 RC180  Fr= 1--      -0.550                 -0.531                 -0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01   0.11     0.03  -0.00  -0.01    -0.04  -0.18   0.00
     2   6    -0.03   0.00   0.14    -0.04   0.05  -0.03     0.01  -0.02   0.03
     3   6    -0.12  -0.02  -0.07     0.05   0.02   0.04    -0.01   0.18  -0.01
     4   6    -0.01   0.03  -0.13     0.05  -0.10   0.02    -0.02   0.00  -0.03
     5   6     0.06   0.02  -0.10    -0.01  -0.11  -0.00    -0.01  -0.17  -0.03
     6   6     0.05  -0.05   0.08    -0.00   0.14  -0.03     0.03   0.17   0.04
     7   6    -0.05   0.00  -0.12    -0.07  -0.05   0.03     0.02  -0.04  -0.05
     8   6    -0.04   0.01  -0.09    -0.13  -0.08  -0.05     0.04  -0.01   0.08
     9   6    -0.01   0.05   0.06    -0.11   0.08   0.10     0.03  -0.02  -0.04
    10   6     0.07  -0.03  -0.04     0.11  -0.04  -0.05    -0.03   0.06   0.01
    11   6     0.03   0.01   0.00     0.08   0.01  -0.02    -0.03  -0.01   0.01
    12   6     0.01   0.00   0.08     0.06   0.01  -0.05    -0.02   0.01   0.03
    13   8     0.04  -0.09   0.06    -0.04   0.03  -0.01     0.02  -0.01   0.02
    14   8     0.00   0.06   0.01    -0.01  -0.02  -0.01    -0.00   0.03  -0.00
    15   1    -0.20   0.02   0.18     0.09  -0.04  -0.05    -0.09  -0.38   0.01
    16   1    -0.25  -0.05  -0.13     0.06   0.09   0.05    -0.01   0.39  -0.01
    17   1     0.15   0.02  -0.16    -0.07  -0.19   0.03     0.00  -0.36  -0.06
    18   1     0.18  -0.12   0.14     0.01   0.27  -0.02     0.06   0.36   0.06
    19   1    -0.28   0.12  -0.30    -0.05  -0.14   0.11    -0.06   0.11  -0.20
    20   1     0.15  -0.17  -0.29    -0.12   0.03   0.09     0.06  -0.23  -0.15
    21   1    -0.00   0.06  -0.09    -0.15  -0.10  -0.04     0.05   0.00   0.08
    22   1     0.15   0.07   0.08     0.15   0.15   0.09    -0.08  -0.01  -0.07
    23   1    -0.13   0.07   0.14    -0.21   0.12   0.17     0.14  -0.04  -0.11
    24   1    -0.02   0.08   0.15    -0.20   0.17   0.25     0.01  -0.02  -0.09
    25   1     0.16  -0.11  -0.11     0.19  -0.13  -0.12    -0.08   0.19   0.08
    26   1     0.10   0.03   0.08     0.18   0.20   0.11    -0.05   0.04  -0.09
    27   1     0.11  -0.05  -0.04     0.30  -0.16  -0.13    -0.06   0.06  -0.07
    28   1     0.13  -0.05   0.03     0.06   0.06  -0.03    -0.00  -0.04   0.01
    29   6     0.04   0.01   0.00     0.03   0.04   0.01     0.00  -0.02  -0.01
    30   1     0.01   0.02  -0.05    -0.18  -0.03   0.06     0.05   0.02  -0.05
    31   1     0.08  -0.01   0.01    -0.02   0.03   0.00     0.02  -0.02  -0.00
    32   1     0.03   0.01  -0.04     0.04   0.07   0.06    -0.00  -0.05  -0.03
    33   1     0.03   0.03   0.04     0.02   0.03  -0.00     0.02  -0.01   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    425.4188               452.0293               550.3265
 Red. masses --      2.3733                 3.6892                 2.5000
 Frc consts  --      0.2531                 0.4441                 0.4461
 IR Inten    --      1.1152                 6.1238                11.2799
 RamAct Fr= 1--      0.8291                 1.9613                 1.1351
  Dep-P Fr= 1--      0.6544                 0.1283                 0.2727
  Dep-U Fr= 1--      0.7911                 0.2275                 0.4285
 Alpha2 Fr= 1--      0.0014                 0.0320                 0.0126
 Beta2  Fr= 1--      0.1093                 0.0744                 0.0811
 AlphaG Fr= 1--      0.0095                -0.0198                 0.0133
 Gamma2 Fr= 1--      0.3406                 0.2034                 0.3964
 Delta2 Fr= 1--      0.0548                 0.2565                 0.2342
 Raman1 Fr= 1--       3.317                  7.845                  4.540
 ROA1   Fr= 1--      34.451                 27.732                 45.552
 CID1   Fr= 1--      10.388                  3.535                 10.033
 Raman2 Fr= 1--       1.312                  0.892                  0.973
 ROA2   Fr= 1--       7.736                  2.829                  7.641
 CID2   Fr= 1--       5.897                  3.170                  7.854
 Raman3 Fr= 1--       2.624                  1.785                  1.946
 ROA3   Fr= 1--      34.451                 27.732                 45.552
 CID3   Fr= 1--      13.131                 15.539                 23.411
 RC180  Fr= 1--       0.582                 -0.545                 -0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.01     0.07   0.02  -0.03     0.05   0.03  -0.04
     2   6     0.00   0.03  -0.00     0.09  -0.09  -0.02     0.10   0.14   0.00
     3   6     0.01  -0.11  -0.01     0.06   0.04  -0.03     0.03  -0.07  -0.06
     4   6     0.00  -0.11  -0.01    -0.03  -0.06   0.00    -0.04   0.11   0.00
     5   6     0.00   0.02  -0.00     0.06   0.03   0.03     0.03  -0.07   0.01
     6   6     0.00   0.01  -0.01     0.07   0.02   0.02     0.06   0.02   0.02
     7   6    -0.02  -0.13  -0.04     0.09   0.00   0.00     0.06  -0.04   0.00
     8   6     0.01  -0.10   0.16    -0.08   0.05  -0.08    -0.04  -0.04   0.02
     9   6    -0.01   0.01  -0.02    -0.09  -0.02   0.05    -0.08  -0.00   0.02
    10   6    -0.00   0.10  -0.00     0.03  -0.02  -0.00     0.00  -0.01  -0.01
    11   6     0.01  -0.03  -0.01    -0.12  -0.11   0.01    -0.11   0.06   0.07
    12   6     0.01   0.03   0.02    -0.08   0.03   0.09    -0.15  -0.01   0.00
    13   8    -0.00   0.04   0.02     0.04   0.08   0.06     0.01  -0.02  -0.06
    14   8    -0.02   0.08  -0.03    -0.04   0.19  -0.07    -0.00  -0.06   0.03
    15   1     0.05   0.25   0.01     0.05   0.10  -0.01    -0.00  -0.14  -0.03
    16   1     0.00  -0.18  -0.01     0.12   0.12   0.00     0.06  -0.29  -0.05
    17   1     0.01   0.09   0.00     0.10   0.11   0.01     0.07  -0.29  -0.05
    18   1     0.00  -0.01  -0.01     0.04   0.13   0.01     0.01  -0.16  -0.00
    19   1    -0.15   0.08  -0.26     0.19  -0.06   0.09    -0.01  -0.00  -0.05
    20   1    -0.02  -0.45  -0.18     0.13   0.17   0.06     0.06  -0.09  -0.03
    21   1    -0.03  -0.12   0.17    -0.10   0.04  -0.07    -0.09  -0.07   0.03
    22   1    -0.09   0.09  -0.11    -0.03  -0.08   0.12    -0.06  -0.00   0.03
    23   1     0.18  -0.00  -0.14    -0.27  -0.02   0.15    -0.10  -0.01   0.03
    24   1    -0.15   0.08  -0.05     0.03  -0.07   0.09    -0.08   0.00   0.04
    25   1    -0.06   0.35   0.12     0.09  -0.17  -0.09     0.03   0.01  -0.01
    26   1    -0.00   0.20  -0.11     0.06   0.05   0.12     0.03   0.07   0.03
    27   1     0.05   0.01  -0.25     0.10  -0.04   0.06     0.06  -0.05  -0.08
    28   1     0.01  -0.04  -0.00    -0.10  -0.23   0.02    -0.07   0.07   0.08
    29   6     0.01  -0.05  -0.00    -0.09  -0.20  -0.04     0.01   0.05   0.01
    30   1    -0.09   0.02  -0.09     0.13   0.08  -0.34     0.69   0.12  -0.04
    31   1     0.02  -0.06   0.00    -0.05  -0.23  -0.03     0.12   0.15   0.02
    32   1     0.01  -0.09  -0.00    -0.10  -0.27  -0.06    -0.01  -0.04  -0.10
    33   1     0.05  -0.02   0.01    -0.04  -0.16   0.01     0.04   0.04  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.9020               619.7191               642.5741
 Red. masses --      2.7556                 1.7097                 3.0593
 Frc consts  --      0.5218                 0.3869                 0.7443
 IR Inten    --     35.9059                65.7143                27.2522
 RamAct Fr= 1--      0.1557                 1.1275                 3.2419
  Dep-P Fr= 1--      0.4456                 0.6853                 0.6039
  Dep-U Fr= 1--      0.6165                 0.8133                 0.7531
 Alpha2 Fr= 1--      0.0010                 0.0013                 0.0087
 Beta2  Fr= 1--      0.0160                 0.1528                 0.4069
 AlphaG Fr= 1--     -0.0031                 0.0081                -0.0147
 Gamma2 Fr= 1--      0.0187                -1.5475                -0.3587
 Delta2 Fr= 1--     -0.1102                -0.3580                -0.2311
 Raman1 Fr= 1--       0.623                  4.510                 12.968
 ROA1   Fr= 1--      -1.735               -160.018                -41.825
 CID1   Fr= 1--      -2.786                -35.481                 -3.225
 Raman2 Fr= 1--       0.192                  1.834                  4.883
 ROA2   Fr= 1--       1.329                -34.277                 -6.759
 CID2   Fr= 1--       6.923                -18.690                 -1.384
 Raman3 Fr= 1--       0.384                  3.668                  9.765
 ROA3   Fr= 1--      -1.735               -160.018                -41.825
 CID3   Fr= 1--      -4.519                -43.627                 -4.283
 RC180  Fr= 1--       0.233                  0.627                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.02     0.02  -0.02   0.06    -0.09   0.02  -0.05
     2   6    -0.04   0.17   0.00    -0.07  -0.05   0.01    -0.03  -0.03  -0.06
     3   6     0.05   0.01   0.06     0.03   0.01   0.03    -0.08  -0.01   0.13
     4   6     0.10   0.19   0.03     0.06  -0.06  -0.02     0.02  -0.03   0.06
     5   6     0.03   0.01  -0.01    -0.01   0.02  -0.05     0.10  -0.02   0.08
     6   6     0.00  -0.06  -0.05    -0.02  -0.01  -0.02     0.08   0.01  -0.10
     7   6    -0.09   0.03   0.02    -0.07   0.03   0.01    -0.03   0.00  -0.01
     8   6     0.00  -0.04   0.02     0.01   0.00  -0.00     0.00   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.04   0.00  -0.01     0.01   0.00  -0.00
    10   6    -0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.06  -0.08  -0.07     0.07  -0.04   0.04     0.01   0.06  -0.17
    12   6     0.02  -0.02   0.04    -0.05  -0.05   0.02     0.02   0.10  -0.02
    13   8     0.02   0.03   0.05    -0.02   0.08   0.02    -0.02  -0.15  -0.03
    14   8    -0.01   0.05  -0.04    -0.07  -0.03  -0.04    -0.04   0.07   0.14
    15   1     0.07  -0.42  -0.05     0.06   0.09   0.04     0.00   0.09  -0.10
    16   1    -0.00  -0.27   0.03    -0.02   0.13   0.01    -0.03   0.06   0.15
    17   1    -0.06  -0.28   0.01    -0.03   0.13  -0.02     0.03   0.03   0.14
    18   1     0.01  -0.41  -0.06     0.06   0.09   0.01     0.04   0.09  -0.11
    19   1    -0.18   0.01   0.00    -0.06   0.00   0.03    -0.01   0.01  -0.02
    20   1    -0.15  -0.03   0.01    -0.08   0.04   0.01    -0.03  -0.01  -0.02
    21   1     0.01  -0.04   0.02     0.05   0.03  -0.01     0.02   0.02  -0.01
    22   1     0.03   0.05  -0.03     0.04   0.02  -0.02     0.01   0.00  -0.01
    23   1     0.07   0.03  -0.03     0.07   0.01  -0.02     0.02   0.00  -0.01
    24   1    -0.08   0.06   0.00     0.00   0.02  -0.01     0.01   0.00  -0.01
    25   1    -0.01   0.03   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.01  -0.03    -0.01  -0.03  -0.02    -0.00  -0.01  -0.00
    27   1    -0.01  -0.03  -0.05    -0.02   0.02   0.02    -0.00   0.01   0.01
    28   1     0.03  -0.17  -0.07     0.12  -0.03   0.05    -0.05   0.01  -0.17
    29   6    -0.08  -0.10  -0.04     0.03   0.03   0.01    -0.02  -0.03  -0.03
    30   1    -0.08  -0.04  -0.16     0.80   0.04  -0.39     0.67   0.28   0.11
    31   1    -0.23  -0.23  -0.06     0.03   0.11   0.01    -0.16  -0.28  -0.04
    32   1    -0.05   0.08   0.09     0.03   0.13  -0.01    -0.00  -0.06   0.13
    33   1    -0.19  -0.11   0.02    -0.07  -0.04  -0.06     0.08   0.09   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.5971               720.8298               753.8120
 Red. masses --      5.1059                 3.1133                 3.9107
 Frc consts  --      1.3327                 0.9531                 1.3093
 IR Inten    --      7.8626                34.5756                 6.8429
 RamAct Fr= 1--      4.8237                 2.6666                 5.4461
  Dep-P Fr= 1--      0.5372                 0.0416                 0.0695
  Dep-U Fr= 1--      0.6989                 0.0799                 0.1299
 Alpha2 Fr= 1--      0.0198                 0.0537                 0.1027
 Beta2  Fr= 1--      0.5619                 0.0355                 0.1179
 AlphaG Fr= 1--     -0.0523                 0.0532                -0.0408
 Gamma2 Fr= 1--      0.3622                 0.7562                 0.4901
 Delta2 Fr= 1--      0.0132                 0.2632                -0.0497
 Raman1 Fr= 1--      19.295                 10.666                 21.784
 ROA1   Fr= 1--      35.188                 81.015                 45.461
 CID1   Fr= 1--       1.824                  7.595                  2.087
 Raman2 Fr= 1--       6.743                  0.426                  1.415
 ROA2   Fr= 1--       8.586                 16.042                 12.160
 CID2   Fr= 1--       1.273                 37.659                  8.591
 Raman3 Fr= 1--      13.486                  0.852                  2.831
 ROA3   Fr= 1--      35.188                 81.015                 45.461
 CID3   Fr= 1--       2.609                 95.094                 16.060
 RC180  Fr= 1--       0.398                 -0.840                 -0.740
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.23  -0.03   0.15    -0.07   0.07  -0.05    -0.02  -0.13  -0.08
     2   6    -0.01  -0.02   0.08     0.07  -0.03  -0.01     0.08   0.23   0.01
     3   6     0.21  -0.01  -0.13    -0.08  -0.01  -0.04     0.01   0.14  -0.06
     4   6     0.01  -0.01  -0.07    -0.04   0.08   0.01    -0.08  -0.23  -0.01
     5   6    -0.21   0.03  -0.12    -0.11  -0.02   0.05     0.01   0.14   0.06
     6   6    -0.20   0.01   0.16    -0.10   0.06   0.09    -0.01  -0.14   0.04
     7   6    -0.02   0.01   0.02     0.17  -0.09  -0.01     0.04   0.07   0.02
     8   6     0.00  -0.01   0.01    -0.01   0.03  -0.02     0.01  -0.04   0.04
     9   6     0.01  -0.00  -0.00    -0.03   0.00   0.00    -0.07   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.02   0.02     0.01  -0.05  -0.04
    11   6     0.00   0.05  -0.13     0.12  -0.02  -0.10    -0.01  -0.00   0.02
    12   6     0.02   0.11  -0.04     0.18  -0.04   0.00     0.16   0.02  -0.05
    13   8    -0.02  -0.13  -0.06    -0.03   0.02   0.10    -0.05  -0.00   0.02
    14   8    -0.01   0.08   0.13    -0.08  -0.03  -0.04    -0.05  -0.01   0.01
    15   1     0.20   0.02   0.18    -0.18  -0.08   0.01    -0.10  -0.33  -0.05
    16   1     0.13   0.04  -0.17    -0.10  -0.26  -0.05     0.10   0.37  -0.02
    17   1    -0.16   0.06  -0.15    -0.13  -0.25   0.03     0.09   0.34   0.03
    18   1    -0.11   0.03   0.20    -0.23  -0.07   0.02    -0.09  -0.35   0.00
    19   1     0.03  -0.06   0.10     0.23  -0.07  -0.00    -0.11   0.13  -0.08
    20   1    -0.06   0.10   0.08     0.19  -0.02   0.01     0.04  -0.07  -0.04
    21   1     0.01  -0.01   0.01    -0.08  -0.02  -0.01    -0.01  -0.07   0.04
    22   1     0.01   0.01  -0.01    -0.06  -0.06   0.04    -0.08   0.03  -0.00
    23   1     0.04   0.01  -0.01    -0.13  -0.04   0.04    -0.01   0.01  -0.01
    24   1    -0.02   0.01  -0.01     0.11  -0.07   0.01    -0.13   0.03   0.01
    25   1    -0.00   0.02   0.01     0.01  -0.02  -0.01    -0.00   0.01  -0.01
    26   1    -0.00  -0.00  -0.00     0.00   0.04   0.05     0.01  -0.04  -0.07
    27   1    -0.01  -0.00  -0.01     0.02   0.02   0.03     0.01  -0.07  -0.11
    28   1    -0.04  -0.00  -0.14     0.05  -0.03  -0.11    -0.04   0.11   0.01
    29   6    -0.04  -0.06  -0.05     0.03   0.02  -0.01     0.01   0.01   0.01
    30   1     0.31   0.25   0.26     0.35  -0.08  -0.36     0.23   0.02  -0.08
    31   1    -0.14  -0.28  -0.05    -0.15  -0.15  -0.03     0.10   0.07   0.02
    32   1    -0.02  -0.10   0.08     0.07   0.19   0.17    -0.01  -0.10  -0.05
    33   1     0.05   0.05   0.11    -0.03   0.04   0.09     0.09   0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.5679               824.2282               837.4028
 Red. masses --      2.2204                 3.8277                 2.7921
 Frc consts  --      0.8511                 1.5321                 1.1536
 IR Inten    --      7.8586                10.5217                 0.9445
 RamAct Fr= 1--     30.5367                 0.8657                 6.7549
  Dep-P Fr= 1--      0.0554                 0.1435                 0.0948
  Dep-U Fr= 1--      0.1050                 0.2510                 0.1732
 Alpha2 Fr= 1--      0.5955                 0.0136                 0.1198
 Beta2  Fr= 1--      0.5344                 0.0362                 0.1949
 AlphaG Fr= 1--     -0.1715                 0.0060                 0.0705
 Gamma2 Fr= 1--     -1.1005                 0.2545                -1.5360
 Delta2 Fr= 1--     -0.0890                 0.0983                -1.9930
 Raman1 Fr= 1--     122.147                  3.463                 27.020
 ROA1   Fr= 1--    -108.491                 27.574               -211.236
 CID1   Fr= 1--      -0.888                  7.963                 -7.818
 Raman2 Fr= 1--       6.413                  0.435                  2.339
 ROA2   Fr= 1--     -25.699                  5.320                -20.921
 CID2   Fr= 1--      -4.007                 12.242                 -8.943
 Raman3 Fr= 1--      12.826                  0.869                  4.679
 ROA3   Fr= 1--    -108.491                 27.574               -211.236
 CID3   Fr= 1--      -8.458                 31.726                -45.149
 RC180  Fr= 1--      -0.790                 -0.498                 -0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.04   0.03  -0.03    -0.04   0.03   0.05
     2   6     0.02  -0.02  -0.01    -0.03  -0.12   0.00    -0.01  -0.06   0.00
     3   6     0.00  -0.06  -0.04     0.05  -0.02  -0.09    -0.04   0.02   0.07
     4   6    -0.01   0.09   0.01    -0.04   0.13   0.01     0.05   0.03   0.00
     5   6    -0.00  -0.06   0.05     0.08  -0.05   0.02    -0.05   0.01  -0.08
     6   6    -0.01  -0.03   0.05     0.08   0.02   0.03    -0.02   0.02  -0.07
     7   6     0.00   0.15   0.01    -0.16   0.07  -0.01     0.12   0.09   0.03
     8   6     0.03  -0.04   0.09    -0.01  -0.01   0.01     0.05   0.01   0.08
     9   6    -0.08  -0.00   0.04     0.03  -0.02   0.00    -0.10   0.02   0.04
    10   6     0.03  -0.10  -0.08     0.00  -0.01  -0.00     0.04  -0.10  -0.10
    11   6     0.01   0.03  -0.09    -0.13   0.04   0.10     0.06  -0.08   0.13
    12   6    -0.05  -0.04   0.06     0.31   0.02  -0.07     0.04   0.05  -0.08
    13   8     0.03   0.01   0.05    -0.07   0.00   0.07    -0.04  -0.00  -0.08
    14   8     0.01  -0.03  -0.04    -0.07  -0.04  -0.00    -0.01   0.06   0.05
    15   1     0.02   0.43   0.00     0.04   0.15  -0.02    -0.04  -0.03   0.04
    16   1     0.08   0.28   0.00     0.10  -0.21  -0.07    -0.15  -0.21   0.01
    17   1     0.04   0.18   0.05     0.18  -0.17  -0.07    -0.13  -0.10  -0.04
    18   1    -0.03   0.37   0.05     0.14   0.17   0.06     0.01   0.03  -0.06
    19   1    -0.01   0.25  -0.08    -0.12   0.03   0.03     0.16   0.27  -0.12
    20   1     0.02   0.01  -0.06    -0.17   0.10   0.01     0.21  -0.06  -0.08
    21   1     0.10  -0.00   0.07     0.10   0.07  -0.01     0.05  -0.01   0.06
    22   1    -0.15   0.07  -0.04     0.07   0.05  -0.05    -0.24   0.03   0.00
    23   1     0.12   0.03  -0.06     0.16   0.04  -0.05     0.01  -0.01  -0.03
    24   1    -0.26   0.08  -0.01    -0.12   0.06  -0.01    -0.13   0.01  -0.02
    25   1    -0.02   0.02  -0.01    -0.01   0.02   0.01    -0.03  -0.03  -0.04
    26   1     0.01  -0.13  -0.20    -0.00  -0.02  -0.02     0.01  -0.19  -0.22
    27   1    -0.01  -0.11  -0.18    -0.01  -0.01  -0.02    -0.02  -0.08  -0.11
    28   1    -0.02  -0.07  -0.09    -0.20   0.30   0.06     0.11   0.04   0.13
    29   6     0.02   0.03  -0.02    -0.08  -0.06  -0.01    -0.02  -0.09   0.01
    30   1    -0.06  -0.11  -0.13     0.16  -0.05  -0.14     0.07   0.17   0.20
    31   1    -0.11  -0.16  -0.03     0.16   0.12   0.02     0.06   0.22   0.01
    32   1     0.04   0.09   0.13    -0.13  -0.34  -0.22    -0.03   0.06  -0.13
    33   1     0.03   0.11   0.13     0.09  -0.04  -0.09    -0.22  -0.30  -0.25
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4038               859.0010               871.7889
 Red. masses --      1.2812                 3.2901                 1.8123
 Frc consts  --      0.5498                 1.4304                 0.8115
 IR Inten    --      0.3818                 4.0551                17.8802
 RamAct Fr= 1--      2.1801                14.0490                 6.4996
  Dep-P Fr= 1--      0.2740                 0.1880                 0.0836
  Dep-U Fr= 1--      0.4301                 0.3165                 0.1542
 Alpha2 Fr= 1--      0.0241                 0.1969                 0.1184
 Beta2  Fr= 1--      0.1563                 0.7410                 0.1671
 AlphaG Fr= 1--     -0.0379                -0.1084                -0.0806
 Gamma2 Fr= 1--      0.1483                 1.7604                 0.2565
 Delta2 Fr= 1--     -0.0562                 0.5107                 0.6725
 Raman1 Fr= 1--       8.721                 56.196                 25.998
 ROA1   Fr= 1--      12.434                185.338                 46.140
 CID1   Fr= 1--       1.426                  3.298                  1.775
 Raman2 Fr= 1--       1.875                  8.892                  2.005
 ROA2   Fr= 1--       4.008                 38.163                  0.775
 CID2   Fr= 1--       2.137                  4.292                  0.386
 Raman3 Fr= 1--       3.751                 17.784                  4.009
 ROA3   Fr= 1--      12.434                185.338                 46.140
 CID3   Fr= 1--       3.315                 10.422                 11.508
 RC180  Fr= 1--      -0.140                 -0.367                 -0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.00    -0.06   0.01  -0.15    -0.02  -0.05  -0.01
     2   6    -0.00   0.01   0.00     0.02  -0.04  -0.01     0.02   0.12   0.01
     3   6    -0.01  -0.09   0.00     0.01   0.00  -0.16    -0.01  -0.05   0.00
     4   6     0.01   0.02   0.00    -0.03   0.01   0.00     0.02   0.10   0.01
     5   6    -0.00   0.06  -0.01     0.05   0.00   0.16    -0.02  -0.08  -0.02
     6   6     0.01   0.07  -0.01    -0.01   0.00   0.17    -0.02  -0.09  -0.02
     7   6     0.02  -0.01   0.02    -0.12   0.03  -0.02     0.04  -0.06   0.03
     8   6    -0.00   0.00  -0.01    -0.02  -0.02  -0.01    -0.02  -0.01  -0.04
     9   6     0.00   0.00  -0.01     0.04  -0.02  -0.01     0.03   0.00  -0.03
    10   6    -0.00   0.01   0.00    -0.01   0.02   0.03    -0.02   0.05   0.04
    11   6    -0.00   0.00   0.02     0.16  -0.12   0.05     0.03  -0.01   0.05
    12   6     0.02   0.00  -0.01    -0.07   0.03  -0.05     0.04   0.01  -0.03
    13   8    -0.01   0.00  -0.00    -0.01   0.00  -0.09    -0.02   0.00  -0.01
    14   8    -0.00   0.00   0.00     0.01   0.07   0.05    -0.01   0.01   0.02
    15   1     0.05   0.51   0.04    -0.16   0.11  -0.07     0.00   0.25   0.01
    16   1     0.04   0.55   0.04     0.11  -0.02  -0.11     0.02   0.29   0.02
    17   1    -0.06  -0.41  -0.04     0.16  -0.17   0.08     0.01   0.49   0.03
    18   1    -0.04  -0.45  -0.04    -0.13  -0.04   0.12     0.04   0.53   0.01
    19   1    -0.02   0.02  -0.02    -0.11  -0.06   0.06    -0.12  -0.04  -0.04
    20   1     0.03  -0.07  -0.01    -0.18   0.11   0.04     0.06  -0.17  -0.02
    21   1    -0.04  -0.03  -0.00     0.06   0.05  -0.02    -0.14  -0.10  -0.02
    22   1     0.02  -0.02   0.01     0.11   0.03  -0.04     0.11  -0.06   0.04
    23   1    -0.04  -0.01   0.02     0.12   0.03  -0.03    -0.15  -0.01   0.06
    24   1     0.05  -0.01   0.01    -0.08   0.05  -0.00     0.15  -0.04   0.04
    25   1     0.00  -0.02  -0.01     0.01   0.04   0.02     0.02  -0.03  -0.01
    26   1    -0.00   0.00   0.01    -0.00   0.06   0.05    -0.00   0.08   0.12
    27   1    -0.00   0.02   0.03     0.00   0.00  -0.01     0.02   0.04   0.09
    28   1    -0.01   0.01   0.02     0.23  -0.16   0.07     0.03   0.05   0.04
    29   6    -0.01  -0.01  -0.00     0.05  -0.05   0.02    -0.02  -0.06  -0.01
    30   1     0.01   0.01   0.01     0.03   0.17   0.20     0.03   0.04   0.04
    31   1     0.01   0.02  -0.00    -0.08   0.13  -0.02    -0.01   0.07  -0.01
    32   1    -0.01  -0.01  -0.03     0.09   0.36   0.07    -0.02   0.04  -0.05
    33   1    -0.02  -0.03  -0.03    -0.30  -0.28  -0.18    -0.13  -0.16  -0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7766               936.2515               954.2213
 Red. masses --      1.5184                 1.1970                 1.6965
 Frc consts  --      0.7211                 0.6182                 0.9101
 IR Inten    --      1.9933                 1.8886                 0.3227
 RamAct Fr= 1--      2.1059                 1.2826                 5.2062
  Dep-P Fr= 1--      0.6761                 0.4236                 0.7020
  Dep-U Fr= 1--      0.8067                 0.5951                 0.8249
 Alpha2 Fr= 1--      0.0028                 0.0087                 0.0044
 Beta2  Fr= 1--      0.2832                 0.1272                 0.7158
 AlphaG Fr= 1--      0.0077                 0.0316                -0.0039
 Gamma2 Fr= 1--     -0.6817                -0.1968                -2.1776
 Delta2 Fr= 1--      0.0155                -0.6147                -0.1135
 Raman1 Fr= 1--       8.424                  5.130                 20.825
 ROA1   Fr= 1--     -64.943                -38.559               -212.683
 CID1   Fr= 1--      -7.710                 -7.516                -10.213
 Raman2 Fr= 1--       3.398                  1.527                  8.589
 ROA2   Fr= 1--     -16.484                  0.195                -51.355
 CID2   Fr= 1--      -4.851                  0.128                 -5.979
 Raman3 Fr= 1--       6.796                  3.053                 17.178
 ROA3   Fr= 1--     -64.943                -38.559               -212.683
 CID3   Fr= 1--      -9.556                -12.629                -12.381
 RC180  Fr= 1--       0.613                  0.190                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.04    -0.00   0.00   0.01     0.01   0.08   0.00
     2   6    -0.01  -0.05   0.01     0.01   0.01  -0.00    -0.02   0.00  -0.00
     3   6     0.04   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.09  -0.03
     4   6    -0.01  -0.02   0.01     0.00   0.00  -0.00     0.00   0.02  -0.00
     5   6    -0.00   0.00   0.02    -0.00  -0.00  -0.01     0.02  -0.01   0.02
     6   6    -0.00   0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.01   0.02
     7   6    -0.04   0.01   0.16     0.02   0.01  -0.01    -0.06  -0.10  -0.01
     8   6    -0.01   0.05  -0.00    -0.04  -0.00   0.01     0.08   0.08   0.01
     9   6     0.03   0.01  -0.02     0.05  -0.00   0.07    -0.06   0.07   0.04
    10   6     0.01   0.02  -0.06    -0.08   0.02  -0.03     0.05  -0.01  -0.05
    11   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.05  -0.06    -0.00  -0.02   0.01    -0.05  -0.49  -0.04
    16   1     0.08  -0.15  -0.02    -0.01   0.05   0.01     0.07   0.52   0.01
    17   1    -0.02  -0.04   0.03    -0.01   0.01  -0.00     0.05   0.07   0.01
    18   1    -0.03  -0.02  -0.03    -0.00  -0.00  -0.00     0.01  -0.01   0.03
    19   1    -0.24   0.39  -0.24     0.05   0.02  -0.01    -0.02  -0.17   0.07
    20   1     0.07  -0.49  -0.11     0.02   0.03  -0.01    -0.17  -0.04   0.07
    21   1    -0.15  -0.25  -0.06     0.22  -0.18  -0.20     0.14   0.09  -0.02
    22   1     0.05  -0.03   0.02    -0.34   0.08  -0.08    -0.40  -0.01   0.04
    23   1    -0.09  -0.02   0.04     0.41  -0.10  -0.19    -0.03  -0.09  -0.04
    24   1     0.15  -0.03   0.03    -0.05  -0.02  -0.17     0.14  -0.08  -0.10
    25   1     0.00  -0.31  -0.18     0.21  -0.29  -0.27    -0.04  -0.09  -0.04
    26   1    -0.00  -0.16   0.04     0.04   0.25   0.42     0.00  -0.20  -0.15
    27   1    -0.03   0.12   0.30     0.18  -0.09   0.04    -0.06   0.09   0.12
    28   1    -0.02  -0.03  -0.02     0.00   0.00   0.00     0.02   0.02   0.01
    29   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    30   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.02  -0.04  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    32   1     0.01   0.01   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02
    33   1     0.02   0.04   0.04    -0.00  -0.01  -0.01    -0.02  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.6486               972.1755               977.1112
 Red. masses --      1.5438                 1.4866                 1.3846
 Frc consts  --      0.8429                 0.8278                 0.7789
 IR Inten    --      0.1796                 0.0536                 0.1500
 RamAct Fr= 1--      1.6838                 2.4474                 0.4218
  Dep-P Fr= 1--      0.5479                 0.6637                 0.7295
  Dep-U Fr= 1--      0.7079                 0.7978                 0.8436
 Alpha2 Fr= 1--      0.0065                 0.0038                 0.0001
 Beta2  Fr= 1--      0.1987                 0.3254                 0.0593
 AlphaG Fr= 1--      0.0669                 0.0018                -0.0001
 Gamma2 Fr= 1--      0.2545                -0.1570                -0.8022
 Delta2 Fr= 1--      0.0224                -0.1591                 0.4324
 Raman1 Fr= 1--       6.735                  9.790                  1.687
 ROA1   Fr= 1--      25.155                -20.164                -63.173
 CID1   Fr= 1--       3.735                 -2.060                -37.439
 Raman2 Fr= 1--       2.384                  3.905                  0.712
 ROA2   Fr= 1--       5.930                 -2.495                -22.712
 CID2   Fr= 1--       2.487                 -0.639                -31.913
 Raman3 Fr= 1--       4.768                  7.810                  1.423
 ROA3   Fr= 1--      25.155                -20.164                -63.173
 CID3   Fr= 1--       5.275                 -2.582                -44.382
 RC180  Fr= 1--       0.416                  0.596                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01     0.00   0.01  -0.00    -0.00   0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.01  -0.01   0.00    -0.00  -0.03  -0.00
     3   6     0.01   0.09  -0.00     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
     5   6     0.01  -0.03   0.01     0.01   0.02   0.01    -0.01  -0.12  -0.00
     6   6     0.00   0.02   0.01    -0.00  -0.02  -0.00     0.01   0.11   0.01
     7   6    -0.03  -0.09  -0.02    -0.01   0.02   0.02    -0.00   0.03   0.01
     8   6     0.06   0.06   0.01    -0.07   0.04   0.06    -0.03  -0.00   0.01
     9   6    -0.04   0.07   0.04     0.10   0.08  -0.03     0.03  -0.01  -0.01
    10   6     0.03  -0.01  -0.03    -0.04  -0.11  -0.03    -0.01  -0.02   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.06   0.60   0.04     0.00  -0.05  -0.01    -0.02  -0.08  -0.01
    16   1    -0.04  -0.49  -0.04     0.02   0.03  -0.00     0.01   0.06   0.00
    17   1     0.05   0.16   0.01    -0.00  -0.13  -0.00     0.06   0.70   0.06
    18   1     0.00  -0.11   0.01     0.01   0.10   0.01    -0.07  -0.64  -0.04
    19   1    -0.04  -0.19   0.08    -0.03   0.04  -0.01     0.03   0.07  -0.02
    20   1    -0.14  -0.03   0.06    -0.02  -0.01   0.01     0.03   0.02  -0.01
    21   1     0.10   0.07  -0.01    -0.24   0.14   0.18    -0.06   0.02   0.04
    22   1    -0.37  -0.02   0.04    -0.14  -0.13   0.10     0.07  -0.01   0.00
    23   1    -0.04  -0.10  -0.04    -0.15  -0.13   0.02     0.00   0.01   0.01
    24   1     0.18  -0.09  -0.10     0.55  -0.17  -0.07     0.03  -0.00   0.01
    25   1    -0.00  -0.05  -0.03     0.08   0.16   0.02     0.01   0.04   0.01
    26   1     0.00  -0.09  -0.07     0.02   0.21   0.01     0.00   0.04   0.00
    27   1    -0.02   0.03   0.05     0.13  -0.30  -0.45     0.02  -0.06  -0.09
    28   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.03   0.05   0.00
    29   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.00    -0.00  -0.01   0.00     0.01   0.01  -0.00
    32   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    33   1     0.01   0.01   0.00     0.01   0.01   0.01    -0.02  -0.04  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2452              1046.1702              1084.2273
 Red. masses --      1.9162                 2.8214                 2.1155
 Frc consts  --      1.1614                 1.8194                 1.4652
 IR Inten    --      2.1954                 4.2930                57.4409
 RamAct Fr= 1--      9.6510                 0.0767                 3.2087
  Dep-P Fr= 1--      0.2354                 0.6774                 0.5752
  Dep-U Fr= 1--      0.3811                 0.8077                 0.7303
 Alpha2 Fr= 1--      0.1191                 0.0001                 0.0106
 Beta2  Fr= 1--      0.6131                 0.0103                 0.3905
 AlphaG Fr= 1--      0.0244                 0.0005                 0.0123
 Gamma2 Fr= 1--      0.3340                -0.0276                -0.9131
 Delta2 Fr= 1--     -1.3435                 0.1441                 1.5253
 Raman1 Fr= 1--      38.604                  0.307                 12.835
 ROA1   Fr= 1--     -10.925                  1.963                -38.852
 CID1   Fr= 1--      -0.283                  6.401                 -3.027
 Raman2 Fr= 1--       7.357                  0.124                  4.687
 ROA2   Fr= 1--      18.764                 -1.814                -34.118
 CID2   Fr= 1--       2.551                -14.647                 -7.280
 Raman3 Fr= 1--      14.714                  0.248                  9.373
 ROA3   Fr= 1--     -10.925                  1.963                -38.852
 CID3   Fr= 1--      -0.743                  7.925                 -4.145
 RC180  Fr= 1--      -0.238                  0.615                  0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.04    -0.05   0.02  -0.20    -0.05   0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.01   0.04
     3   6     0.00   0.01   0.02    -0.01  -0.01   0.19     0.02   0.01  -0.05
     4   6     0.07  -0.03  -0.04     0.04  -0.00   0.01     0.05  -0.02   0.03
     5   6     0.00   0.02   0.04    -0.04   0.02  -0.20    -0.02   0.01  -0.00
     6   6    -0.04  -0.01   0.06    -0.01  -0.01   0.20     0.01   0.00  -0.02
     7   6     0.01   0.01   0.00    -0.01   0.00   0.00     0.01  -0.01   0.02
     8   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.01   0.01  -0.04
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.00   0.02
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.02
    11   6     0.10   0.14  -0.06    -0.01  -0.01   0.02     0.09   0.08   0.16
    12   6    -0.07  -0.01   0.04     0.00  -0.00  -0.01    -0.01   0.09   0.02
    13   8     0.03  -0.00   0.03    -0.00   0.00  -0.01    -0.00   0.01  -0.00
    14   8     0.01  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.07  -0.07
    15   1    -0.00   0.02  -0.05     0.21   0.00  -0.38    -0.19   0.01   0.05
    16   1    -0.03  -0.06   0.01     0.29  -0.05   0.33     0.09  -0.03  -0.02
    17   1    -0.04  -0.14   0.05     0.21   0.00  -0.38    -0.17  -0.01   0.10
    18   1    -0.12   0.06   0.04     0.32  -0.06   0.35     0.06  -0.00   0.00
    19   1     0.04   0.03  -0.01    -0.04  -0.01   0.00    -0.18  -0.06   0.01
    20   1    -0.03  -0.02   0.01    -0.06  -0.02   0.01     0.20   0.03  -0.05
    21   1    -0.03  -0.04   0.00    -0.00   0.00   0.00     0.10   0.11  -0.04
    22   1     0.03  -0.01   0.00    -0.01  -0.00   0.00    -0.06   0.02  -0.02
    23   1    -0.02   0.00   0.01    -0.01  -0.00   0.00     0.06  -0.00  -0.02
    24   1     0.01   0.00   0.01     0.01  -0.00  -0.00    -0.05   0.01  -0.03
    25   1     0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.09   0.06
    26   1     0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.05  -0.01
    27   1     0.00   0.00   0.02    -0.00   0.00   0.00     0.00  -0.04  -0.08
    28   1     0.45   0.46  -0.00    -0.10  -0.07   0.01     0.06  -0.29   0.18
    29   6    -0.12  -0.09   0.00     0.00   0.02  -0.01    -0.06  -0.02  -0.13
    30   1    -0.01  -0.05  -0.05     0.00   0.01   0.01     0.07   0.14   0.25
    31   1     0.22   0.18   0.04    -0.02  -0.07  -0.01    -0.16  -0.48  -0.11
    32   1    -0.18  -0.38  -0.35     0.00  -0.02   0.04    -0.04  -0.23   0.13
    33   1     0.07  -0.12  -0.20     0.03   0.06   0.06     0.12   0.22   0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.3588              1106.2202              1138.5163
 Red. masses --      1.5764                 1.8099                 2.1670
 Frc consts  --      1.1185                 1.3049                 1.6550
 IR Inten    --      3.5792                45.1030                 2.2663
 RamAct Fr= 1--      2.8985                 4.4587                14.2499
  Dep-P Fr= 1--      0.2888                 0.3066                 0.4590
  Dep-U Fr= 1--      0.4481                 0.4693                 0.6292
 Alpha2 Fr= 1--      0.0307                 0.0448                 0.0842
 Beta2  Fr= 1--      0.2165                 0.3488                 1.4943
 AlphaG Fr= 1--     -0.0314                 0.0234                -0.1338
 Gamma2 Fr= 1--     -0.2698                -1.6517                 1.1273
 Delta2 Fr= 1--      0.7125                -0.6532                 0.1414
 Raman1 Fr= 1--      11.594                 17.835                 57.000
 ROA1   Fr= 1--      -3.103               -179.464                112.744
 CID1   Fr= 1--      -0.268                -10.063                  1.978
 Raman2 Fr= 1--       2.598                  4.185                 17.931
 ROA2   Fr= 1--     -12.177                -34.415                 25.924
 CID2   Fr= 1--      -4.687                 -8.223                  1.446
 Raman3 Fr= 1--       5.195                  8.371                 35.862
 ROA3   Fr= 1--      -3.103               -179.464                112.744
 CID3   Fr= 1--      -0.597                -21.440                  3.144
 RC180  Fr= 1--      -0.104                 -0.061                  0.258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.03     0.03  -0.01   0.05     0.03   0.01   0.01
     2   6     0.01  -0.01   0.04     0.00   0.02  -0.05    -0.03  -0.05  -0.02
     3   6     0.02   0.01  -0.01    -0.03   0.01   0.02    -0.02   0.00   0.01
     4   6    -0.05  -0.04   0.04    -0.04  -0.03  -0.01    -0.02   0.00  -0.02
     5   6    -0.03   0.02  -0.04     0.03   0.01  -0.01     0.03  -0.00   0.01
     6   6     0.02   0.00  -0.05     0.01  -0.01   0.02    -0.02   0.01   0.02
     7   6    -0.01  -0.01   0.05    -0.01   0.01  -0.07     0.01   0.11   0.00
     8   6     0.01   0.01  -0.05    -0.03  -0.01   0.09     0.17  -0.15  -0.07
     9   6    -0.01  -0.00   0.02     0.02  -0.00  -0.03    -0.08   0.09  -0.03
    10   6    -0.00  -0.02   0.03     0.01   0.02  -0.05    -0.06   0.03   0.09
    11   6    -0.02   0.11  -0.03     0.01   0.11   0.07    -0.01   0.00   0.00
    12   6    -0.02  -0.00   0.02    -0.00   0.07   0.02     0.00   0.03   0.01
    13   8     0.02  -0.01   0.03     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00  -0.01  -0.00    -0.01  -0.06  -0.05    -0.00  -0.02  -0.02
    15   1    -0.04  -0.01  -0.00     0.07   0.01   0.02     0.19  -0.07  -0.10
    16   1     0.17  -0.07   0.06    -0.16  -0.02  -0.04    -0.14   0.01  -0.04
    17   1    -0.09  -0.04  -0.00     0.17  -0.03  -0.11     0.16  -0.01  -0.08
    18   1     0.13  -0.02  -0.00     0.01   0.00   0.03    -0.13  -0.03  -0.04
    19   1    -0.29  -0.07   0.01     0.41   0.09  -0.01    -0.22  -0.01   0.02
    20   1     0.26   0.02  -0.07    -0.38  -0.01   0.10    -0.09  -0.09  -0.03
    21   1     0.13   0.15  -0.05    -0.20  -0.18   0.09     0.19  -0.42  -0.19
    22   1    -0.08   0.03  -0.02     0.12  -0.04   0.03    -0.21  -0.11   0.12
    23   1     0.08  -0.01  -0.03    -0.09   0.01   0.04    -0.40  -0.09   0.07
    24   1    -0.06   0.01  -0.04     0.08  -0.01   0.05     0.22  -0.07   0.00
    25   1     0.00   0.13   0.08    -0.01  -0.19  -0.12     0.08   0.13   0.07
    26   1     0.00   0.06  -0.03    -0.00  -0.11   0.02     0.00   0.22   0.20
    27   1    -0.00  -0.05  -0.11    -0.00   0.08   0.16     0.10  -0.08  -0.06
    28   1    -0.21   0.37  -0.08    -0.10   0.06   0.05     0.04  -0.06   0.02
    29   6     0.07  -0.09  -0.00     0.05  -0.08  -0.06     0.01  -0.01   0.00
    30   1    -0.02  -0.06  -0.07     0.03   0.06   0.13     0.01   0.05   0.07
    31   1    -0.20   0.08  -0.06    -0.25  -0.14  -0.10    -0.01   0.01  -0.00
    32   1     0.11   0.37   0.07     0.09   0.25   0.16     0.01   0.03   0.01
    33   1    -0.32  -0.31  -0.15    -0.23  -0.16  -0.00    -0.03  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.2261              1161.6316              1193.8704
 Red. masses --      1.5705                 2.0662                 1.7718
 Frc consts  --      1.2200                 1.6427                 1.4879
 IR Inten    --     41.0964               149.3693                10.0603
 RamAct Fr= 1--      6.6611                 1.4079                 2.8093
  Dep-P Fr= 1--      0.1542                 0.5510                 0.5516
  Dep-U Fr= 1--      0.2671                 0.7105                 0.7110
 Alpha2 Fr= 1--      0.1019                 0.0054                 0.0106
 Beta2  Fr= 1--      0.2966                 0.1667                 0.3329
 AlphaG Fr= 1--     -0.0101                -0.0187                -0.0174
 Gamma2 Fr= 1--      0.1708                -2.3587                 1.1341
 Delta2 Fr= 1--      0.5226                -0.9078                -0.4307
 Raman1 Fr= 1--      26.644                  5.632                 11.237
 ROA1   Fr= 1--      33.117               -255.486                 95.096
 CID1   Fr= 1--       1.243                -45.367                  8.463
 Raman2 Fr= 1--       3.559                  2.001                  3.995
 ROA2   Fr= 1--      -0.082                -49.347                 30.664
 CID2   Fr= 1--      -0.023                -24.667                  7.676
 Raman3 Fr= 1--       7.118                  4.001                  7.990
 ROA3   Fr= 1--      33.117               -255.486                 95.096
 CID3   Fr= 1--       4.653                -63.855                 11.902
 RC180  Fr= 1--      -0.466                  0.421                  0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.00    -0.03   0.00   0.01     0.00  -0.00   0.01
     2   6     0.02   0.01  -0.01    -0.01   0.00   0.01     0.01   0.00  -0.01
     3   6    -0.07   0.00   0.04     0.04  -0.01   0.01     0.00  -0.00   0.00
     4   6    -0.04   0.01  -0.03    -0.04   0.02  -0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.01   0.01    -0.05   0.00   0.00    -0.01   0.00   0.00
     6   6    -0.05   0.00   0.00     0.05  -0.00  -0.02     0.00  -0.00   0.00
     7   6    -0.01  -0.04   0.06    -0.00   0.01  -0.02    -0.01  -0.05   0.03
     8   6    -0.04   0.06  -0.04     0.00  -0.01   0.01     0.14   0.13   0.05
     9   6     0.02  -0.03   0.03     0.00   0.01  -0.01    -0.06  -0.07  -0.08
    10   6     0.01  -0.02   0.01     0.00   0.01  -0.01    -0.11  -0.04  -0.04
    11   6    -0.00  -0.02  -0.01    -0.03  -0.07  -0.11     0.00   0.00  -0.00
    12   6     0.01   0.08   0.02     0.01   0.16   0.05     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02     0.02  -0.02   0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.04  -0.06    -0.02  -0.08  -0.11    -0.00  -0.00  -0.00
    15   1     0.44  -0.02  -0.23    -0.18   0.01   0.11    -0.01   0.01   0.02
    16   1    -0.30   0.04  -0.06     0.35  -0.02   0.15    -0.02   0.00  -0.01
    17   1     0.31  -0.01  -0.17    -0.24   0.03   0.13    -0.01   0.00   0.01
    18   1    -0.38   0.05  -0.14     0.31  -0.03   0.10     0.03  -0.00   0.02
    19   1    -0.16  -0.01  -0.02     0.05  -0.00   0.01     0.04   0.00   0.00
    20   1     0.21  -0.02  -0.04    -0.04   0.02   0.01    -0.19  -0.19   0.06
    21   1     0.03   0.21  -0.00    -0.02  -0.03   0.01     0.29   0.31   0.05
    22   1     0.00   0.06  -0.06     0.00  -0.01   0.01     0.34  -0.00  -0.03
    23   1     0.18   0.02  -0.04    -0.03  -0.01   0.01    -0.21   0.20   0.13
    24   1    -0.12   0.03  -0.03     0.03  -0.01   0.00    -0.23   0.10   0.20
    25   1    -0.02   0.08   0.06    -0.00  -0.03  -0.02     0.23  -0.09  -0.21
    26   1     0.00  -0.01  -0.09    -0.00  -0.01   0.01    -0.00   0.26   0.24
    27   1    -0.03  -0.02  -0.08     0.00   0.01   0.03     0.21  -0.22  -0.16
    28   1     0.14  -0.16   0.03     0.21  -0.27  -0.05     0.01  -0.01   0.00
    29   6     0.01  -0.01   0.02     0.01   0.01   0.09     0.00  -0.00   0.00
    30   1     0.04   0.13   0.20     0.07   0.25   0.40     0.00   0.01   0.01
    31   1     0.03   0.07   0.02     0.15   0.29   0.10    -0.00   0.00  -0.00
    32   1     0.00   0.02  -0.02    -0.02   0.03  -0.15     0.00   0.00   0.00
    33   1    -0.02  -0.04  -0.03    -0.01  -0.12  -0.15    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1212.1002              1222.8869              1236.8451
 Red. masses --      1.2524                 2.1670                 2.3708
 Frc consts  --      1.0841                 1.9093                 2.1368
 IR Inten    --      3.2496                 8.1453                 2.1454
 RamAct Fr= 1--     42.1332                40.7542                28.8753
  Dep-P Fr= 1--      0.0946                 0.1429                 0.1183
  Dep-U Fr= 1--      0.1729                 0.2500                 0.2116
 Alpha2 Fr= 1--      0.7475                 0.6415                 0.4832
 Beta2  Fr= 1--      1.2138                 1.6982                 1.0186
 AlphaG Fr= 1--     -0.3340                -0.0991                -0.1348
 Gamma2 Fr= 1--     -4.0633                 0.2087                -0.1582
 Delta2 Fr= 1--      0.9864                -0.4103                 0.3103
 Raman1 Fr= 1--     168.533                163.017                115.501
 ROA1   Fr= 1--    -358.516                  6.908                 -5.261
 CID1   Fr= 1--      -2.127                  0.042                 -0.046
 Raman2 Fr= 1--      14.566                 20.378                 12.223
 ROA2   Fr= 1--    -105.411                  8.292                 -6.280
 CID2   Fr= 1--      -7.237                  0.407                 -0.514
 Raman3 Fr= 1--      29.132                 40.757                 24.445
 ROA3   Fr= 1--    -358.516                  6.908                 -5.261
 CID3   Fr= 1--     -12.307                  0.169                 -0.215
 RC180  Fr= 1--      -0.654                 -0.500                 -0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.05    -0.09   0.01  -0.03     0.05  -0.00  -0.01
     2   6     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.29  -0.04  -0.03
     3   6     0.02  -0.00   0.04     0.06  -0.01  -0.02    -0.07   0.00   0.06
     4   6    -0.09   0.01  -0.00     0.23  -0.02   0.00     0.05  -0.00   0.01
     5   6     0.01   0.00  -0.04     0.08  -0.01  -0.02    -0.08   0.01  -0.06
     6   6    -0.01   0.00  -0.04    -0.10   0.01   0.04     0.05  -0.00   0.01
     7   6    -0.02   0.00   0.00     0.02  -0.01  -0.00    -0.10   0.04   0.01
     8   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01   0.01  -0.03
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.01   0.02
    11   6     0.04   0.00   0.00    -0.10  -0.01  -0.02     0.01  -0.01  -0.00
    12   6    -0.00  -0.01  -0.00    -0.00   0.03   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00  -0.01     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.02  -0.03    -0.00  -0.00  -0.01
    15   1    -0.33   0.01   0.27    -0.41   0.03   0.18    -0.29   0.00   0.24
    16   1     0.50  -0.06   0.27    -0.00   0.00  -0.06    -0.39   0.04  -0.08
    17   1     0.38  -0.01  -0.29     0.21  -0.01  -0.10    -0.35   0.02   0.12
    18   1    -0.37   0.05  -0.21    -0.50   0.06  -0.13    -0.19   0.03  -0.11
    19   1    -0.03   0.00  -0.00     0.06   0.02  -0.02    -0.29  -0.05   0.03
    20   1    -0.06  -0.01   0.01     0.03   0.01   0.00    -0.46  -0.16   0.08
    21   1    -0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.07  -0.04  -0.03
    22   1    -0.01   0.00   0.00     0.01   0.00  -0.01    -0.05   0.02  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.05  -0.02  -0.02
    24   1     0.00   0.00  -0.00    -0.02   0.00   0.00    -0.01  -0.00  -0.04
    25   1     0.00   0.01   0.01     0.00   0.01   0.00    -0.02   0.04   0.04
    26   1    -0.00   0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.05
    27   1     0.00  -0.00  -0.01     0.00  -0.01  -0.01    -0.02  -0.00  -0.03
    28   1     0.20  -0.01   0.04    -0.53   0.01  -0.11    -0.14   0.02  -0.04
    29   6    -0.01  -0.00  -0.02     0.02   0.00   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.03  -0.05     0.03   0.11   0.17     0.01   0.04   0.06
    31   1     0.01  -0.03  -0.01    -0.02   0.11   0.03     0.01   0.01   0.01
    32   1    -0.01  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.03
    33   1     0.03   0.03   0.02    -0.07  -0.08  -0.05     0.01  -0.01  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.5578              1280.2618              1309.1043
 Red. masses --      1.6163                 1.7494                 1.5903
 Frc consts  --      1.4822                 1.6894                 1.6058
 IR Inten    --      2.0550                 3.0947                 4.7538
 RamAct Fr= 1--      5.2811                 4.5993                 6.1267
  Dep-P Fr= 1--      0.5462                 0.5486                 0.5239
  Dep-U Fr= 1--      0.7065                 0.7085                 0.6876
 Alpha2 Fr= 1--      0.0206                 0.0177                 0.0269
 Beta2  Fr= 1--      0.6219                 0.5431                 0.7021
 AlphaG Fr= 1--      0.0187                -0.0150                -0.0524
 Gamma2 Fr= 1--      2.0401                 0.9793                -4.5240
 Delta2 Fr= 1--     -0.0455                -0.0619                 0.0217
 Raman1 Fr= 1--      21.125                 18.397                 24.507
 ROA1   Fr= 1--     194.395                 92.031               -433.606
 CID1   Fr= 1--       9.202                  5.002                -17.693
 Raman2 Fr= 1--       7.462                  6.517                  8.425
 ROA2   Fr= 1--      49.326                 23.999               -108.750
 CID2   Fr= 1--       6.610                  3.682                -12.908
 Raman3 Fr= 1--      14.924                 13.034                 16.850
 ROA3   Fr= 1--     194.395                 92.031               -433.606
 CID3   Fr= 1--      13.025                  7.061                -25.733
 RC180  Fr= 1--       0.413                  0.417                  0.375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00  -0.04    -0.04   0.00   0.01    -0.03   0.00   0.03
     2   6     0.04  -0.02   0.07     0.02  -0.01  -0.03    -0.00  -0.00  -0.03
     3   6    -0.03   0.00  -0.01     0.03  -0.00   0.05     0.03  -0.01   0.03
     4   6    -0.00  -0.00   0.04     0.07  -0.01  -0.12     0.01   0.01  -0.09
     5   6     0.01   0.00  -0.03    -0.01  -0.00   0.03    -0.02   0.00   0.03
     6   6    -0.02   0.01  -0.03     0.02  -0.00   0.04     0.03  -0.00   0.02
     7   6    -0.02   0.02  -0.05     0.00   0.01  -0.00     0.02   0.01  -0.00
     8   6     0.01  -0.06   0.14     0.00  -0.01   0.02     0.01   0.00  -0.00
     9   6     0.00   0.02  -0.05     0.00  -0.00  -0.00     0.00  -0.01   0.01
    10   6    -0.01   0.05  -0.08    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    11   6     0.03  -0.01  -0.01    -0.14   0.06   0.02    -0.07  -0.06   0.02
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.00     0.01  -0.12  -0.03
    13   8     0.00  -0.00   0.01    -0.02  -0.01  -0.04     0.01   0.02   0.05
    14   8    -0.00   0.00  -0.01     0.01  -0.02   0.04    -0.02   0.04  -0.04
    15   1     0.05  -0.01  -0.06     0.04  -0.00  -0.04     0.08  -0.01  -0.05
    16   1    -0.01   0.00  -0.00     0.09  -0.02   0.08     0.10  -0.01   0.06
    17   1    -0.02   0.00  -0.01    -0.24   0.00   0.19    -0.11   0.00   0.09
    18   1    -0.15   0.01  -0.10    -0.22   0.02  -0.07    -0.11   0.01  -0.04
    19   1    -0.41  -0.32   0.13    -0.18  -0.10   0.04    -0.14  -0.09   0.03
    20   1     0.36   0.35  -0.07     0.08   0.04  -0.02     0.01  -0.02  -0.01
    21   1    -0.03   0.15   0.25    -0.04   0.06   0.07    -0.10   0.03   0.07
    22   1     0.07  -0.09   0.07     0.00  -0.01   0.01    -0.01   0.01  -0.01
    23   1    -0.14   0.01   0.04    -0.00   0.00   0.00     0.02   0.00  -0.00
    24   1     0.11  -0.00   0.09     0.00   0.00   0.01    -0.03   0.01  -0.00
    25   1     0.01  -0.27  -0.20     0.00  -0.05  -0.04     0.01  -0.02  -0.02
    26   1    -0.01  -0.13   0.14    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    27   1     0.07   0.07   0.20     0.01   0.01   0.03     0.01   0.00   0.01
    28   1    -0.08   0.03  -0.03     0.52  -0.34   0.18     0.28   0.54   0.05
    29   6    -0.01   0.00   0.01     0.05  -0.02  -0.01     0.03   0.02  -0.06
    30   1     0.01   0.03   0.04    -0.08  -0.28  -0.36     0.08   0.37   0.50
    31   1     0.03   0.01   0.01    -0.15   0.00  -0.04    -0.08  -0.11  -0.06
    32   1    -0.02  -0.04  -0.03     0.06   0.13   0.03     0.06   0.06   0.14
    33   1     0.03   0.01  -0.02    -0.14  -0.07   0.03    -0.02   0.09   0.13
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.0404              1349.7460              1363.6003
 Red. masses --      1.3480                 2.2011                 1.5733
 Frc consts  --      1.3818                 2.3626                 1.7236
 IR Inten    --      0.8518                 0.5430                 0.6094
 RamAct Fr= 1--     15.6522                 1.2793                13.1984
  Dep-P Fr= 1--      0.2854                 0.7455                 0.4470
  Dep-U Fr= 1--      0.4440                 0.8542                 0.6179
 Alpha2 Fr= 1--      0.1676                 0.0001                 0.0819
 Beta2  Fr= 1--      1.1583                 0.1821                 1.3591
 AlphaG Fr= 1--     -0.0360                 0.0092                -0.0843
 Gamma2 Fr= 1--      4.3113                -2.9228                 7.4499
 Delta2 Fr= 1--      0.3685                -0.6964                 4.4462
 Raman1 Fr= 1--      62.609                  5.117                 52.793
 ROA1   Fr= 1--     425.674               -302.875                857.465
 CID1   Fr= 1--       6.799                -59.186                 16.242
 Raman2 Fr= 1--      13.900                  2.186                 16.309
 ROA2   Fr= 1--     100.523                -64.576                143.227
 CID2   Fr= 1--       7.232                -29.546                  8.782
 Raman3 Fr= 1--      27.800                  4.371                 32.619
 ROA3   Fr= 1--     425.674               -302.875                857.465
 CID3   Fr= 1--      15.312                -69.288                 26.287
 RC180  Fr= 1--      -0.112                  0.708                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.06  -0.00  -0.06     0.08  -0.00  -0.05
     2   6     0.05   0.02   0.02     0.00  -0.01   0.19    -0.01  -0.00  -0.00
     3   6    -0.02  -0.00   0.01    -0.12   0.01  -0.06    -0.03   0.00  -0.01
     4   6     0.01   0.00  -0.01     0.02  -0.00   0.07     0.03  -0.01   0.11
     5   6    -0.00   0.00  -0.01     0.11  -0.01  -0.07     0.04  -0.00  -0.01
     6   6     0.01  -0.00   0.00    -0.08   0.01  -0.04    -0.10   0.01  -0.03
     7   6    -0.11  -0.06   0.03    -0.01  -0.00  -0.06     0.05   0.02   0.02
     8   6    -0.04  -0.04   0.03     0.04   0.08  -0.00    -0.04  -0.05  -0.01
     9   6    -0.01   0.04  -0.05    -0.00  -0.03   0.01     0.01   0.01  -0.00
    10   6     0.02  -0.01   0.01    -0.00  -0.03   0.02     0.01   0.02  -0.01
    11   6    -0.02  -0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01   0.02  -0.01     0.19  -0.00  -0.14    -0.33   0.01   0.23
    16   1     0.01   0.00   0.03     0.35  -0.04   0.15    -0.22   0.03  -0.09
    17   1    -0.12   0.01   0.07    -0.32   0.02   0.23     0.19  -0.00  -0.11
    18   1    -0.11   0.02  -0.05    -0.17   0.03  -0.08     0.33  -0.05   0.17
    19   1     0.42   0.33  -0.14     0.18  -0.00   0.01    -0.05  -0.02   0.02
    20   1     0.29   0.24  -0.03    -0.24   0.01   0.07    -0.14  -0.18   0.02
    21   1     0.57   0.00  -0.25    -0.24  -0.46  -0.09     0.20   0.31   0.02
    22   1     0.07  -0.08   0.07     0.01   0.06  -0.05    -0.01  -0.03   0.02
    23   1    -0.14  -0.02   0.01     0.04   0.06   0.02    -0.03  -0.05  -0.01
    24   1     0.17  -0.03   0.04    -0.07   0.01   0.01     0.02  -0.00  -0.02
    25   1    -0.05   0.05   0.06     0.04   0.07   0.03    -0.05  -0.05  -0.01
    26   1     0.01  -0.01   0.00    -0.00   0.05  -0.07    -0.00  -0.04   0.03
    27   1    -0.04   0.02   0.01     0.00  -0.05  -0.08    -0.02   0.03   0.01
    28   1     0.10   0.07   0.02     0.26   0.09   0.05     0.53   0.17   0.10
    29   6     0.01   0.00  -0.01     0.01   0.01  -0.01     0.02   0.00  -0.02
    30   1     0.01   0.04   0.06    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.03  -0.02  -0.01    -0.05  -0.03  -0.02    -0.06  -0.02  -0.04
    32   1     0.01   0.01   0.02     0.01   0.01   0.00     0.04   0.04   0.06
    33   1    -0.01   0.01   0.02    -0.02   0.01   0.02    -0.04   0.04   0.08
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.4887              1374.8686              1392.4356
 Red. masses --      1.4759                 1.3048                 1.9967
 Frc consts  --      1.6380                 1.4532                 2.2810
 IR Inten    --      0.4914                 4.3905                41.8845
 RamAct Fr= 1--      3.2535                15.3834                 5.2095
  Dep-P Fr= 1--      0.1859                 0.5108                 0.7461
  Dep-U Fr= 1--      0.3135                 0.6762                 0.8546
 Alpha2 Fr= 1--      0.0459                 0.0722                 0.0003
 Beta2  Fr= 1--      0.1700                 1.7336                 0.7420
 AlphaG Fr= 1--     -0.1698                -0.1307                -0.0072
 Gamma2 Fr= 1--     -2.3709                -4.9334                 1.4207
 Delta2 Fr= 1--     -0.4364                 1.3337                -1.8232
 Raman1 Fr= 1--      13.014                 61.534                 20.838
 ROA1   Fr= 1--    -241.569               -430.926                 78.047
 CID1   Fr= 1--     -18.562                 -7.003                  3.745
 Raman2 Fr= 1--       2.040                 20.803                  8.904
 ROA2   Fr= 1--     -53.409               -129.071                 48.683
 CID2   Fr= 1--     -26.180                 -6.204                  5.468
 Raman3 Fr= 1--       4.080                 41.607                 17.808
 ROA3   Fr= 1--    -241.569               -430.926                 78.047
 CID3   Fr= 1--     -59.206                -10.357                  4.383
 RC180  Fr= 1--      -0.373                  0.352                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.04   0.00   0.01
     2   6    -0.02  -0.01  -0.01    -0.01  -0.01   0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00  -0.00    -0.03   0.01  -0.02     0.02  -0.01  -0.00
     4   6    -0.00   0.00  -0.01    -0.01   0.00  -0.03    -0.00   0.02  -0.02
     5   6    -0.00   0.00   0.01     0.03  -0.00  -0.02    -0.01   0.00  -0.00
     6   6     0.01   0.00   0.00     0.01  -0.00   0.01     0.03  -0.00   0.01
     7   6     0.09   0.03  -0.03     0.06   0.03   0.01     0.00   0.00  -0.00
     8   6    -0.12   0.07   0.08    -0.05  -0.09  -0.04    -0.01  -0.00  -0.00
     9   6    -0.00  -0.01  -0.05     0.01   0.02   0.00    -0.00   0.00  -0.00
    10   6     0.04  -0.01   0.03     0.00   0.03  -0.02     0.00   0.00   0.00
    11   6     0.01   0.01   0.00     0.03   0.01   0.01     0.02  -0.17   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.04   0.20   0.06
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.03  -0.02
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.06   0.01
    15   1     0.05  -0.01  -0.03     0.20  -0.02  -0.13     0.09  -0.00  -0.07
    16   1     0.03  -0.01   0.01     0.26  -0.04   0.11     0.02   0.03  -0.00
    17   1     0.01  -0.00  -0.00    -0.20   0.01   0.14    -0.02   0.01   0.00
    18   1    -0.01  -0.01  -0.01    -0.19   0.01  -0.08    -0.12   0.01  -0.06
    19   1    -0.35  -0.28   0.11     0.11   0.03   0.03     0.00  -0.01   0.01
    20   1    -0.19  -0.15   0.03    -0.34  -0.34   0.04    -0.03  -0.03   0.00
    21   1     0.51  -0.31  -0.40     0.24   0.57   0.10     0.02   0.03  -0.00
    22   1     0.14  -0.04   0.01    -0.04  -0.03   0.03     0.01  -0.00   0.00
    23   1    -0.03   0.08   0.01    -0.06  -0.10  -0.02    -0.00  -0.00  -0.00
    24   1     0.09  -0.00   0.11     0.00   0.00  -0.07     0.00  -0.00  -0.00
    25   1    -0.06  -0.09   0.04    -0.06  -0.06  -0.02    -0.00  -0.01  -0.00
    26   1    -0.01  -0.13  -0.18     0.00  -0.03   0.07    -0.00  -0.01  -0.00
    27   1    -0.07  -0.02  -0.19    -0.02   0.06   0.06     0.00  -0.00  -0.01
    28   1    -0.06  -0.03  -0.01    -0.19  -0.08  -0.03    -0.09   0.76  -0.04
    29   6    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.01   0.05  -0.03
    30   1     0.00   0.01   0.01     0.01   0.02   0.02    -0.06  -0.27  -0.35
    31   1     0.01   0.01   0.00     0.01  -0.00   0.01     0.03  -0.22  -0.02
    32   1    -0.00  -0.00  -0.01    -0.01  -0.02  -0.04     0.02  -0.13   0.14
    33   1     0.00  -0.00  -0.01     0.01  -0.02  -0.04    -0.06   0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4180              1415.8887              1422.9673
 Red. masses --      1.2576                 1.2215                 1.2351
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.8724                10.8553                 6.6039
 RamAct Fr= 1--      0.0880                 1.0118                 1.3863
  Dep-P Fr= 1--      0.6089                 0.5243                 0.4208
  Dep-U Fr= 1--      0.7569                 0.6879                 0.5924
 Alpha2 Fr= 1--      0.0002                 0.0044                 0.0095
 Beta2  Fr= 1--      0.0111                 0.1160                 0.1369
 AlphaG Fr= 1--     -0.0018                 0.0012                -0.0120
 Gamma2 Fr= 1--      0.0697                -0.0805                -0.0142
 Delta2 Fr= 1--     -0.0352                 0.0914                 0.0963
 Raman1 Fr= 1--       0.352                  4.047                  5.545
 ROA1   Fr= 1--       5.562                 -4.804                  1.723
 CID1   Fr= 1--      15.806                 -1.187                  0.311
 Raman2 Fr= 1--       0.133                  1.392                  1.642
 ROA2   Fr= 1--       1.953                 -2.663                 -1.110
 CID2   Fr= 1--      14.665                 -1.913                 -0.676
 Raman3 Fr= 1--       0.266                  2.784                  3.285
 ROA3   Fr= 1--       5.562                 -4.804                  1.723
 CID3   Fr= 1--      20.881                 -1.726                  0.524
 RC180  Fr= 1--       0.514                  0.376                  0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.01   0.00   0.01     0.00   0.00  -0.00     0.02   0.01  -0.01
     8   6     0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01   0.01
     9   6    -0.10   0.02   0.03     0.00   0.00   0.00    -0.09   0.01   0.01
    10   6    -0.02   0.07   0.07    -0.00   0.00   0.00     0.01  -0.07  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00  -0.00     0.02  -0.00  -0.03    -0.00  -0.00   0.00
    16   1     0.01  -0.00   0.01    -0.02   0.00  -0.01     0.01  -0.00   0.00
    17   1    -0.01   0.00   0.01    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.04   0.01  -0.02     0.00  -0.00   0.00
    19   1     0.06   0.04  -0.01     0.02   0.00   0.00    -0.09  -0.03  -0.00
    20   1     0.01  -0.01  -0.01    -0.02  -0.01   0.00    -0.07  -0.01   0.03
    21   1    -0.06   0.06   0.06     0.00   0.01   0.00     0.02  -0.01  -0.01
    22   1     0.40   0.07   0.07     0.00   0.00   0.00     0.37   0.05   0.06
    23   1     0.37  -0.03  -0.24    -0.00  -0.00  -0.00     0.33   0.04  -0.20
    24   1     0.35  -0.23  -0.07    -0.00  -0.00  -0.00     0.32  -0.20   0.01
    25   1     0.14  -0.31  -0.17     0.00  -0.00  -0.00    -0.12   0.37   0.16
    26   1    -0.11  -0.24  -0.26    -0.00  -0.00  -0.00     0.12   0.26   0.29
    27   1     0.15  -0.13  -0.31     0.00  -0.00  -0.00    -0.12   0.13   0.38
    28   1    -0.00  -0.01  -0.00    -0.02   0.05  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.06  -0.11  -0.05    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.30   0.50  -0.01     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.04   0.47   0.25     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.34   0.28   0.39     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.0736              1485.4746              1490.3400
 Red. masses --      2.4874                 1.0756                 1.0459
 Frc consts  --      3.1243                 1.3985                 1.3687
 IR Inten    --      8.5231                 0.4986                 1.9538
 RamAct Fr= 1--      0.4488                 1.7531                 9.9219
  Dep-P Fr= 1--      0.3858                 0.6304                 0.7233
  Dep-U Fr= 1--      0.5568                 0.7733                 0.8394
 Alpha2 Fr= 1--      0.0035                 0.0038                 0.0046
 Beta2  Fr= 1--      0.0416                 0.2259                 1.3881
 AlphaG Fr= 1--      0.0209                -0.0362                 0.0073
 Gamma2 Fr= 1--      2.3778                -1.2734                -2.1295
 Delta2 Fr= 1--     -1.4000                 0.3149                 0.8262
 Raman1 Fr= 1--       1.795                  7.013                 39.688
 ROA1   Fr= 1--     183.469               -112.165               -177.992
 CID1   Fr= 1--     102.202                -15.995                 -4.485
 Raman2 Fr= 1--       0.500                  2.711                 16.657
 ROA2   Fr= 1--      68.268                -33.080                -57.717
 CID2   Fr= 1--     136.598                -12.201                 -3.465
 Raman3 Fr= 1--       1.000                  5.423                 33.314
 ROA3   Fr= 1--     183.469               -112.165               -177.992
 CID3   Fr= 1--     183.552                -20.685                 -5.343
 RC180  Fr= 1--       0.114                  0.547                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.01   0.15     0.01   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.14  -0.01  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.01  -0.01   0.15     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.13  -0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04    -0.05   0.04  -0.00     0.02  -0.02   0.00
     8   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.00   0.01
     9   6    -0.00   0.00   0.01    -0.01  -0.03  -0.00     0.00  -0.02   0.03
    10   6     0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01   0.03  -0.02
    11   6    -0.04   0.01  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   8    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.23  -0.00  -0.30    -0.02   0.00   0.01     0.01   0.00  -0.01
    16   1    -0.32   0.05  -0.27    -0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.25   0.00  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.27   0.04  -0.24    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.19  -0.01   0.05     0.26  -0.21   0.30    -0.10   0.09  -0.12
    20   1    -0.21  -0.12   0.01     0.20  -0.32  -0.26    -0.08   0.13   0.11
    21   1     0.01   0.03   0.00    -0.03  -0.01   0.02     0.05  -0.01  -0.03
    22   1     0.04   0.02  -0.00    -0.14   0.18  -0.20     0.07   0.39  -0.32
    23   1    -0.02  -0.04  -0.01     0.05   0.37   0.14    -0.21   0.12   0.20
    24   1    -0.01  -0.01  -0.06     0.21  -0.10   0.11     0.10  -0.17  -0.37
    25   1     0.01  -0.01  -0.01    -0.31  -0.18   0.08    -0.16   0.16   0.11
    26   1     0.00   0.04  -0.02     0.06   0.04   0.23    -0.03  -0.37   0.23
    27   1    -0.03   0.02   0.01    -0.16   0.03  -0.23     0.33  -0.15   0.00
    28   1     0.35  -0.07   0.05    -0.01   0.00  -0.00     0.00  -0.00   0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.03   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.08  -0.00  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    32   1    -0.00  -0.03  -0.06     0.00  -0.00   0.01    -0.00   0.00  -0.01
    33   1    -0.04  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1956              1497.5520              1498.7994
 Red. masses --      1.0467                 1.0749                 1.0560
 Frc consts  --      1.3731                 1.4203                 1.3976
 IR Inten    --      4.6917                 4.4608                 6.8012
 RamAct Fr= 1--      5.0280                 3.5442                 4.5329
  Dep-P Fr= 1--      0.6209                 0.6898                 0.6875
  Dep-U Fr= 1--      0.7661                 0.8164                 0.8148
 Alpha2 Fr= 1--      0.0119                 0.0037                 0.0050
 Beta2  Fr= 1--      0.6420                 0.4823                 0.6156
 AlphaG Fr= 1--      0.0099                -0.0050                 0.0470
 Gamma2 Fr= 1--     -0.4265                -1.5200                 1.4955
 Delta2 Fr= 1--     -0.9722                 0.5772                 1.2991
 Raman1 Fr= 1--      20.112                 14.177                 18.131
 ROA1   Fr= 1--     -72.052               -127.445                185.138
 CID1   Fr= 1--      -3.583                 -8.990                 10.211
 Raman2 Fr= 1--       7.704                  5.787                  7.387
 ROA2   Fr= 1--      -2.458                -41.096                 25.499
 CID2   Fr= 1--      -0.319                 -7.101                  3.452
 Raman3 Fr= 1--      15.408                 11.575                 14.773
 ROA3   Fr= 1--     -72.052               -127.445                185.138
 CID3   Fr= 1--      -4.676                -11.011                 12.532
 RC180  Fr= 1--       0.532                  0.633                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.01
     3   6    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.00     0.01   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.02  -0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.01
    16   1     0.03  -0.00   0.01     0.00  -0.00   0.01    -0.01  -0.00  -0.01
    17   1     0.02   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.00
    18   1     0.02  -0.00   0.01     0.01  -0.00   0.01    -0.00   0.00  -0.01
    19   1     0.00  -0.00   0.00     0.21  -0.26   0.32    -0.04   0.06  -0.07
    20   1     0.00  -0.00  -0.00     0.20  -0.32  -0.26    -0.05   0.07   0.06
    21   1     0.00  -0.00  -0.00     0.04  -0.06  -0.04    -0.01   0.01   0.01
    22   1     0.00  -0.00   0.00     0.19   0.08  -0.02    -0.03  -0.01   0.00
    23   1    -0.00  -0.00  -0.00    -0.16  -0.23  -0.01     0.02   0.04   0.00
    24   1    -0.00   0.00  -0.00    -0.10  -0.03  -0.31     0.01   0.00   0.05
    25   1     0.00   0.00   0.00     0.30   0.23  -0.06    -0.06  -0.05   0.01
    26   1    -0.00  -0.00  -0.00    -0.05  -0.04  -0.21     0.01   0.01   0.04
    27   1     0.00  -0.00   0.00     0.17  -0.03   0.27    -0.04   0.01  -0.06
    28   1    -0.06  -0.03  -0.03    -0.01  -0.02  -0.00     0.02  -0.09  -0.01
    29   6     0.04  -0.00  -0.03    -0.01   0.01  -0.01    -0.02   0.02  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    31   1    -0.17   0.48  -0.07     0.13  -0.02   0.02     0.60  -0.08   0.10
    32   1    -0.00  -0.48   0.04     0.01  -0.03   0.13     0.06  -0.16   0.63
    33   1    -0.49   0.06   0.50    -0.06  -0.04  -0.04    -0.30  -0.17  -0.17
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.2162              1511.1605              1551.6654
 Red. masses --      1.0529                 1.0509                 2.4396
 Frc consts  --      1.4036                 1.4139                 3.4607
 IR Inten    --      4.4911                12.5518                25.7721
 RamAct Fr= 1--      7.0490                 0.9246                 0.3145
  Dep-P Fr= 1--      0.7378                 0.5441                 0.7100
  Dep-U Fr= 1--      0.8491                 0.7047                 0.8304
 Alpha2 Fr= 1--      0.0015                 0.0037                 0.0002
 Beta2  Fr= 1--      0.9976                 0.1086                 0.0435
 AlphaG Fr= 1--     -0.0102                 0.0028                -0.0025
 Gamma2 Fr= 1--      0.7202                 1.3632                 0.1420
 Delta2 Fr= 1--     -0.2029                 0.2853                 0.2776
 Raman1 Fr= 1--      28.196                  3.698                  1.258
 ROA1   Fr= 1--      62.652                140.002                 22.519
 CID1   Fr= 1--       2.222                 37.856                 17.902
 Raman2 Fr= 1--      11.971                  1.303                  0.522
 ROA2   Fr= 1--      18.909                 30.435                  1.187
 CID2   Fr= 1--       1.580                 23.355                  2.273
 Raman3 Fr= 1--      23.942                  2.606                  1.045
 ROA3   Fr= 1--      62.652                140.002                 22.519
 CID3   Fr= 1--       2.617                 53.716                 21.558
 RC180  Fr= 1--       0.698                  0.409                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08   0.00   0.10
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.01
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.10   0.02  -0.09
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.15  -0.01  -0.02
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.09   0.00   0.12
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.10   0.02  -0.10
     7   6     0.00   0.01   0.00     0.02  -0.01  -0.00    -0.03   0.00   0.00
     8   6    -0.03  -0.02  -0.02    -0.01  -0.04   0.02    -0.00  -0.01   0.00
     9   6     0.00  -0.02  -0.03    -0.00  -0.02   0.01     0.00   0.00  -0.00
    10   6    -0.03   0.01   0.00    -0.00  -0.02   0.03     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.38  -0.02  -0.20
    16   1    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.41  -0.05   0.13
    17   1     0.00   0.00  -0.01    -0.01   0.00   0.01     0.44  -0.02  -0.24
    18   1    -0.01   0.00  -0.01    -0.00  -0.00  -0.00     0.45  -0.05   0.14
    19   1     0.03   0.01   0.01    -0.08   0.06  -0.09    -0.04   0.02  -0.01
    20   1    -0.03  -0.04  -0.01    -0.04   0.10   0.07    -0.05   0.02   0.02
    21   1     0.02   0.05  -0.01     0.05   0.06   0.04     0.01   0.00  -0.00
    22   1    -0.31  -0.07  -0.03    -0.04   0.31  -0.28    -0.01   0.01  -0.01
    23   1     0.21   0.41   0.06    -0.12   0.25   0.19    -0.00   0.01   0.01
    24   1     0.20   0.01   0.44     0.17  -0.15  -0.16     0.02  -0.01  -0.00
    25   1     0.28   0.29  -0.03     0.32  -0.12  -0.18     0.00  -0.01  -0.00
    26   1    -0.09  -0.23  -0.17     0.01   0.40  -0.37     0.00   0.02  -0.01
    27   1     0.33  -0.10   0.27    -0.31   0.17   0.13    -0.02   0.01   0.00
    28   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.04   0.01
    32   1     0.00  -0.00   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.01
    33   1    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.05  -0.00  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.4302              1658.3243              1805.7836
 Red. masses --      6.0491                 5.7940                 9.5413
 Frc consts  --      9.3353                 9.3879                18.3312
 IR Inten    --      0.2512                 1.2424               272.4996
 RamAct Fr= 1--      1.7807               134.3829                15.6628
  Dep-P Fr= 1--      0.7307                 0.4851                 0.1954
  Dep-U Fr= 1--      0.8444                 0.6533                 0.3270
 Alpha2 Fr= 1--      0.0006                 0.7102                 0.2153
 Beta2  Fr= 1--      0.2506                14.6323                 0.8535
 AlphaG Fr= 1--     -0.0225                -0.7477                -0.5081
 Gamma2 Fr= 1--      0.0649                -7.4108                -2.2482
 Delta2 Fr= 1--      0.0309                -0.1672                 0.9522
 Raman1 Fr= 1--       7.123                537.532                 62.651
 ROA1   Fr= 1--       7.225               -716.789               -185.361
 CID1   Fr= 1--       1.014                 -1.333                 -2.959
 Raman2 Fr= 1--       3.007                175.588                 10.242
 ROA2   Fr= 1--       1.311               -176.523                -61.576
 CID2   Fr= 1--       0.436                 -1.005                 -6.012
 Raman3 Fr= 1--       6.014                351.175                 20.484
 ROA3   Fr= 1--       7.225               -716.789               -185.361
 CID3   Fr= 1--       1.201                 -2.041                 -9.049
 RC180  Fr= 1--       0.689                  0.307                 -0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01  -0.22     0.27  -0.02  -0.11    -0.01   0.00   0.00
     2   6     0.01  -0.02   0.35    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.12  -0.03   0.21    -0.28   0.03  -0.06     0.01  -0.00   0.00
     4   6    -0.04   0.03  -0.35     0.19  -0.02  -0.01    -0.02   0.00  -0.00
     5   6    -0.07  -0.01   0.21    -0.28   0.02   0.10     0.01   0.00   0.00
     6   6    -0.11   0.02  -0.19     0.30  -0.03   0.05    -0.01   0.00  -0.01
     7   6     0.01   0.00  -0.04     0.03  -0.01  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.01     0.01   0.01  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.00    -0.01   0.03  -0.05
    12   6     0.00   0.01  -0.01     0.00   0.01   0.02     0.23  -0.14   0.65
    13   8     0.00  -0.00   0.01    -0.00  -0.00  -0.01    -0.14   0.06  -0.42
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.06
    15   1    -0.32   0.03   0.05    -0.25   0.01   0.26     0.00   0.00  -0.01
    16   1    -0.33   0.03   0.01     0.28  -0.04   0.20    -0.02   0.01  -0.01
    17   1     0.28  -0.02  -0.02     0.28  -0.01  -0.29     0.02  -0.02  -0.01
    18   1     0.28  -0.02  -0.02    -0.31   0.04  -0.23     0.02  -0.00   0.01
    19   1     0.16   0.04  -0.02     0.03   0.01  -0.01     0.00   0.00   0.00
    20   1    -0.23  -0.02   0.07     0.01   0.00   0.01    -0.00  -0.00  -0.00
    21   1    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    22   1    -0.02  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02    -0.01   0.01   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.01   0.00     0.01  -0.01  -0.01     0.00  -0.00   0.00
    28   1    -0.27   0.03  -0.03    -0.02   0.01  -0.00    -0.11   0.20  -0.06
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    30   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.07   0.27   0.37
    31   1    -0.02  -0.02  -0.00     0.02  -0.00   0.00     0.02  -0.05   0.02
    32   1    -0.00   0.01  -0.02    -0.00   0.03   0.01     0.02  -0.03   0.02
    33   1     0.02   0.00   0.00     0.02   0.00  -0.00    -0.06  -0.07  -0.08
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.9853              3018.4685              3020.1949
 Red. masses --      1.0811                 1.0503                 1.0404
 Frc consts  --      5.7477                 5.6383                 5.5912
 IR Inten    --      3.0440                 8.8326                41.0008
 RamAct Fr= 1--    138.9273                14.0748                25.2459
  Dep-P Fr= 1--      0.1891                 0.6382                 0.3141
  Dep-U Fr= 1--      0.3181                 0.7792                 0.4781
 Alpha2 Fr= 1--      1.9417                 0.0284                 0.2481
 Beta2  Fr= 1--      7.3645                 1.8278                 2.0115
 AlphaG Fr= 1--     -0.9619                -0.1194                 0.2599
 Gamma2 Fr= 1--     -9.8971                 6.1168                -0.3130
 Delta2 Fr= 1--     -5.6050                 1.8579                 3.1199
 Raman1 Fr= 1--     555.709                 56.299                100.984
 ROA1   Fr= 1--   -1129.485                646.667                 69.785
 CID1   Fr= 1--      -2.033                 11.486                  0.691
 Raman2 Fr= 1--      88.374                 21.934                 24.138
 ROA2   Fr= 1--    -192.692                131.940                -32.472
 CID2   Fr= 1--      -2.180                  6.015                 -1.345
 Raman3 Fr= 1--     176.747                 43.867                 48.276
 ROA3   Fr= 1--   -1129.485                646.667                 69.785
 CID3   Fr= 1--      -6.390                 14.741                  1.446
 RC180  Fr= 1--      -0.364                  0.558                 -0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01   0.01    -0.03   0.04  -0.00     0.01  -0.02   0.00
     8   6    -0.03   0.03  -0.06    -0.00   0.00  -0.01    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.01     0.03  -0.01   0.00     0.03  -0.01   0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.03
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.01    -0.00   0.00   0.01     0.00  -0.00  -0.00
    19   1    -0.00   0.01   0.02     0.12  -0.35  -0.42    -0.06   0.16   0.19
    20   1    -0.10   0.09  -0.21     0.21  -0.18   0.45    -0.10   0.09  -0.23
    21   1     0.39  -0.34   0.78     0.04  -0.04   0.08     0.00  -0.00   0.00
    22   1     0.00  -0.03  -0.03    -0.04   0.21   0.25    -0.03   0.19   0.22
    23   1    -0.06   0.05  -0.11    -0.19   0.16  -0.36    -0.17   0.14  -0.33
    24   1     0.01   0.03  -0.00    -0.12  -0.25   0.07    -0.12  -0.26   0.07
    25   1    -0.07   0.06  -0.16    -0.03   0.03  -0.06     0.22  -0.19   0.47
    26   1     0.00  -0.01   0.00     0.02  -0.01  -0.00    -0.29   0.05   0.03
    27   1     0.01   0.00  -0.00    -0.01  -0.02   0.01     0.16   0.31  -0.09
    28   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.7509              3047.3436              3056.3047
 Red. masses --      1.0439                 1.0356                 1.1034
 Frc consts  --      5.6349                 5.6659                 6.0725
 IR Inten    --     49.9365                25.4584                15.5849
 RamAct Fr= 1--    418.3445               225.2177                28.7241
  Dep-P Fr= 1--      0.0094                 0.0639                 0.7261
  Dep-U Fr= 1--      0.0187                 0.1200                 0.8413
 Alpha2 Fr= 1--      9.0938                 4.3039                 0.0118
 Beta2  Fr= 1--      1.3030                 4.5058                 4.0277
 AlphaG Fr= 1--      1.2310                -0.3843                 0.1532
 Gamma2 Fr= 1--      1.0204                 0.6670                 1.6500
 Delta2 Fr= 1--     -0.1993                 3.3996                -0.9526
 Raman1 Fr= 1--    1673.378                900.871                114.896
 ROA1   Fr= 1--      91.585                172.820                127.915
 CID1   Fr= 1--       0.055                  0.192                  1.113
 Raman2 Fr= 1--      15.637                 54.069                 48.333
 ROA2   Fr= 1--      26.085                -11.189                 47.220
 CID2   Fr= 1--       1.668                 -0.207                  0.977
 Raman3 Fr= 1--      31.273                108.139                 96.665
 ROA3   Fr= 1--      91.585                172.820                127.915
 CID3   Fr= 1--       2.929                  1.598                  1.323
 RC180  Fr= 1--      -0.963                 -0.760                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02   0.03   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.09
     8   6    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.03   0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.02
    10   6    -0.01  -0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    19   1     0.08  -0.24  -0.28    -0.00   0.00   0.00    -0.15   0.43   0.49
    20   1     0.10  -0.10   0.23    -0.00   0.00  -0.00     0.28  -0.26   0.59
    21   1     0.08  -0.07   0.16    -0.00   0.00  -0.00     0.06  -0.05   0.12
    22   1     0.04  -0.20  -0.23    -0.00   0.00   0.00     0.01  -0.08  -0.09
    23   1     0.15  -0.12   0.28    -0.00   0.00  -0.00    -0.04   0.04  -0.08
    24   1     0.12   0.25  -0.07    -0.00  -0.00   0.00     0.02   0.04  -0.00
    25   1     0.20  -0.17   0.42    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    26   1    -0.28   0.05   0.04     0.00  -0.00  -0.00    -0.05   0.01   0.01
    27   1     0.15   0.30  -0.09    -0.00  -0.00   0.00     0.04   0.07  -0.02
    28   1     0.00  -0.00  -0.00    -0.01   0.00   0.04     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01    -0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.09   0.01   0.45     0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.66  -0.06  -0.10     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.19   0.48  -0.25     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.8342              3077.6546              3084.2027
 Red. masses --      1.0840                 1.0993                 1.0993
 Frc consts  --      6.0228                 6.1350                 6.1609
 IR Inten    --      6.7788                10.3502                56.1302
 RamAct Fr= 1--     65.6453                22.6902               112.7521
  Dep-P Fr= 1--      0.1932                 0.7365                 0.4591
  Dep-U Fr= 1--      0.3238                 0.8482                 0.6293
 Alpha2 Fr= 1--      0.9077                 0.0052                 0.6660
 Beta2  Fr= 1--      3.5429                 3.2077                11.8257
 AlphaG Fr= 1--     -0.0043                 0.0231                 1.2599
 Gamma2 Fr= 1--     -0.9616                10.0305                -5.7568
 Delta2 Fr= 1--     -3.1837                -3.8538                14.8043
 Raman1 Fr= 1--     262.581                 90.761                451.008
 ROA1   Fr= 1--    -194.196                839.608                -78.916
 CID1   Fr= 1--      -0.740                  9.251                 -0.175
 Raman2 Fr= 1--      42.515                 38.493                141.909
 ROA2   Fr= 1--       2.390                271.562               -256.598
 CID2   Fr= 1--       0.056                  7.055                 -1.808
 Raman3 Fr= 1--      85.029                 76.986                283.818
 ROA3   Fr= 1--    -194.196                839.608                -78.916
 CID3   Fr= 1--      -2.284                 10.906                 -0.278
 RC180  Fr= 1--      -0.352                  0.696                  0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     9   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.01   0.01   0.06
    10   6     0.00   0.00  -0.00     0.01  -0.05   0.03     0.01  -0.05   0.04
    11   6     0.02  -0.00  -0.08     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.02     0.02  -0.06  -0.07
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.03    -0.04   0.05  -0.10
    21   1     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.08   0.07  -0.17
    22   1     0.00  -0.00  -0.00    -0.05   0.25   0.27     0.07  -0.32  -0.36
    23   1    -0.00   0.00  -0.00     0.25  -0.20   0.44    -0.20   0.17  -0.35
    24   1     0.00   0.00  -0.00    -0.16  -0.31   0.07     0.04   0.08  -0.01
    25   1     0.00  -0.00   0.00    -0.16   0.12  -0.33    -0.18   0.14  -0.37
    26   1    -0.00   0.00   0.00    -0.17   0.02   0.04    -0.16   0.02   0.03
    27   1     0.00   0.00  -0.00     0.22   0.43  -0.11     0.24   0.46  -0.12
    28   1    -0.20   0.05   0.96    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.00  -0.16     0.00  -0.00  -0.00     0.00   0.00  -0.00
    32   1     0.04  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0228              3103.5788              3111.0113
 Red. masses --      1.1014                 1.1003                 1.1023
 Frc consts  --      6.1959                 6.2442                 6.2857
 IR Inten    --     42.0010                32.9279                27.0381
 RamAct Fr= 1--    119.4992                51.4856               107.0599
  Dep-P Fr= 1--      0.6596                 0.7060                 0.6821
  Dep-U Fr= 1--      0.7949                 0.8276                 0.8110
 Alpha2 Fr= 1--      0.1928                 0.0394                 0.1281
 Beta2  Fr= 1--     15.8317                 7.1020                14.4708
 AlphaG Fr= 1--      0.0571                 0.1643                 0.0820
 Gamma2 Fr= 1--     -5.8183                 9.6099                 0.6747
 Delta2 Fr= 1--    -10.5472                 1.1274                -4.1039
 Raman1 Fr= 1--     477.997                205.943                428.240
 ROA1   Fr= 1--    -896.062                958.627                -66.553
 CID1   Fr= 1--      -1.875                  4.655                 -0.155
 Raman2 Fr= 1--     189.981                 85.224                173.649
 ROA2   Fr= 1--     -55.261                221.618                 49.024
 CID2   Fr= 1--      -0.291                  2.600                  0.282
 Raman3 Fr= 1--     379.961                170.448                347.298
 ROA3   Fr= 1--    -896.062                958.627                -66.553
 CID3   Fr= 1--      -2.358                  5.624                 -0.192
 RC180  Fr= 1--       0.590                  0.655                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.02  -0.09  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.01  -0.01   0.01    -0.09  -0.01   0.01     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1    -0.00   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.02   0.02  -0.04     0.01  -0.01   0.03    -0.00  -0.00  -0.00
    22   1    -0.08   0.36   0.44    -0.00   0.02   0.02     0.00  -0.00  -0.00
    23   1    -0.06   0.03  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
    24   1     0.35   0.67  -0.19     0.02   0.03  -0.01    -0.00  -0.00   0.00
    25   1    -0.05   0.04  -0.11     0.05  -0.06   0.15    -0.00   0.00  -0.00
    26   1    -0.09   0.01   0.02     0.85  -0.15  -0.13    -0.01   0.00   0.00
    27   1     0.06   0.13  -0.03     0.18   0.39  -0.11    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.00
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.20
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.05  -0.10
    33   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.21  -0.57   0.30
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8835              3159.9802              3160.6451
 Red. masses --      1.1013                 1.0875                 1.0869
 Frc consts  --      6.3567                 6.3978                 6.3972
 IR Inten    --     12.8501                19.7361                 2.8607
 RamAct Fr= 1--     27.7795                11.1114               101.4598
  Dep-P Fr= 1--      0.6779                 0.1319                 0.6823
  Dep-U Fr= 1--      0.8081                 0.2330                 0.8112
 Alpha2 Fr= 1--      0.0354                 0.1798                 0.1209
 Beta2  Fr= 1--      3.7412                 0.4315                13.7169
 AlphaG Fr= 1--      0.0556                 0.0002                -0.1344
 Gamma2 Fr= 1--     -1.3060                -0.8086                 0.7224
 Delta2 Fr= 1--      1.9597                -0.6959                 2.3174
 Raman1 Fr= 1--     111.118                 44.446                405.839
 ROA1   Fr= 1--     -62.663                -99.895                143.510
 CID1   Fr= 1--      -0.564                 -2.248                  0.354
 Raman2 Fr= 1--      44.895                  5.178                164.602
 ROA2   Fr= 1--     -47.022                -13.840                 -1.200
 CID2   Fr= 1--      -1.047                 -2.673                 -0.007
 Raman3 Fr= 1--      89.789                 10.357                329.205
 ROA3   Fr= 1--     -62.663                -99.895                143.510
 CID3   Fr= 1--      -0.698                 -9.645                  0.436
 RC180  Fr= 1--       0.616                 -0.534                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.02  -0.00   0.03    -0.03   0.01  -0.04
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.01   0.00  -0.03    -0.02  -0.00   0.04
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.02     0.01  -0.00   0.01
     6   6     0.00   0.00  -0.00     0.03   0.00  -0.06     0.02   0.00  -0.04
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.22   0.04  -0.33     0.33  -0.06   0.48
    16   1     0.01   0.00  -0.02    -0.18  -0.01   0.40     0.23   0.01  -0.50
    17   1    -0.02   0.00  -0.03    -0.17   0.03  -0.25    -0.12   0.02  -0.17
    18   1    -0.00  -0.00   0.01    -0.31  -0.01   0.67    -0.23  -0.01   0.50
    19   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.01   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   1    -0.03   0.01   0.15    -0.00   0.00   0.01     0.01  -0.00  -0.02
    29   6     0.02   0.03  -0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.15   0.04   0.84     0.00  -0.00  -0.01     0.00  -0.00  -0.02
    32   1    -0.19   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.15  -0.38   0.18    -0.00   0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.1302              3183.9010              3723.5246
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5045                 6.5287                 8.6911
 IR Inten    --     17.6129                 2.6693                62.9282
 RamAct Fr= 1--    107.9589               122.2811               132.5797
  Dep-P Fr= 1--      0.1497                 0.1378                 0.2443
  Dep-U Fr= 1--      0.2604                 0.2423                 0.3926
 Alpha2 Fr= 1--      1.6702                 1.9492                 1.5966
 Beta2  Fr= 1--      4.6855                 4.9379                 8.6758
 AlphaG Fr= 1--      0.2050                -0.2851                -0.4211
 Gamma2 Fr= 1--      1.9630                 1.2213                -6.1425
 Delta2 Fr= 1--      1.1025                -0.3687                -0.0488
 Raman1 Fr= 1--     431.835                489.124                530.319
 ROA1   Fr= 1--     223.729                105.446               -591.239
 CID1   Fr= 1--       0.518                  0.216                 -1.115
 Raman2 Fr= 1--      56.226                 59.255                104.110
 ROA2   Fr= 1--      38.291                 32.261               -147.029
 CID2   Fr= 1--       0.681                  0.544                 -1.412
 Raman3 Fr= 1--     112.453                118.510                208.220
 ROA3   Fr= 1--     223.729                105.446               -591.239
 CID3   Fr= 1--       1.990                  0.890                 -2.839
 RC180  Fr= 1--      -0.479                 -0.515                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.03   0.00  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.01    -0.05   0.01  -0.07     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.02   0.00  -0.03     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.05   0.03
    15   1     0.39  -0.07   0.57    -0.06   0.01  -0.09    -0.00   0.00  -0.00
    16   1    -0.29  -0.01   0.63     0.04   0.00  -0.09     0.00  -0.00  -0.00
    17   1     0.09  -0.02   0.13     0.51  -0.10   0.75     0.00  -0.00  -0.00
    18   1    -0.01  -0.00   0.01    -0.16  -0.01   0.33    -0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.01   0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.26   0.83  -0.48
    31   1    -0.00   0.00   0.01    -0.00   0.00   0.03    -0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.553526919.063437175.91763
           X            0.99985   0.01701  -0.00326
           Y           -0.01688   0.99917   0.03720
           Z            0.00389  -0.03714   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06357     0.01252     0.01207
 Rotational constants (GHZ):           1.32453     0.26084     0.25150
 Zero-point vibrational energy     745966.3 (Joules/Mol)
                                  178.29022 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     36.55    51.65    67.17    76.62    91.91
          (Kelvin)            163.68   219.59   299.66   323.31   325.69
                              358.69   361.81   415.88   464.20   509.66
                              553.06   591.73   603.86   612.08   650.37
                              791.80   815.65   891.64   924.52   957.65
                             1037.11  1084.57  1160.47  1185.88  1204.84
                             1227.86  1235.91  1254.31  1291.70  1347.06
                             1372.91  1385.04  1398.74  1405.85  1459.27
                             1505.21  1559.96  1578.85  1591.60  1638.07
                             1652.04  1671.33  1717.71  1743.94  1759.46
                             1779.54  1794.96  1842.01  1883.51  1897.80
                             1941.98  1961.92  1974.71  1978.13  2003.40
                             2019.21  2037.15  2047.33  2100.72  2137.27
                             2144.27  2146.94  2154.64  2156.44  2164.23
                             2174.22  2232.50  2328.56  2385.96  2598.12
                             4322.06  4342.90  4345.39  4354.82  4384.45
                             4397.34  4418.25  4428.06  4437.48  4445.85
                             4465.36  4476.05  4503.20  4546.51  4547.46
                             4571.18  4580.92  5357.32
 
 Zero-point correction=                           0.284124 (Hartree/Particle)
 Thermal correction to Energy=                    0.299822
 Thermal correction to Enthalpy=                  0.300766
 Thermal correction to Gibbs Free Energy=         0.239372
 Sum of electronic and zero-point Energies=           -656.740271
 Sum of electronic and thermal Energies=              -656.724573
 Sum of electronic and thermal Enthalpies=            -656.723629
 Sum of electronic and thermal Free Energies=         -656.785023
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.141             58.748            129.213
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.581
 Vibrational            186.363             52.786             54.758
 Vibration     1          0.593              1.985              6.160
 Vibration     2          0.594              1.982              5.473
 Vibration     3          0.595              1.979              4.953
 Vibration     4          0.596              1.976              4.693
 Vibration     5          0.597              1.972              4.334
 Vibration     6          0.607              1.938              3.204
 Vibration     7          0.619              1.900              2.639
 Vibration     8          0.642              1.828              2.059
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.650              1.801              1.908
 Vibration    11          0.662              1.764              1.735
 Vibration    12          0.663              1.760              1.720
 Vibration    13          0.686              1.694              1.480
 Vibration    14          0.708              1.630              1.297
 Vibration    15          0.730              1.567              1.147
 Vibration    16          0.753              1.503              1.022
 Vibration    17          0.775              1.446              0.922
 Vibration    18          0.782              1.427              0.893
 Vibration    19          0.787              1.415              0.874
 Vibration    20          0.811              1.356              0.790
 Vibration    21          0.906              1.139              0.543
 Vibration    22          0.923              1.103              0.510
 Vibration    23          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.787862-110       -110.103550       -253.522793
 Total V=0       0.383789D+21         20.584093         47.396625
 Vib (Bot)       0.230037-124       -124.638203       -286.990067
 Vib (Bot)    1  0.815306D+01          0.911321          2.098394
 Vib (Bot)    2  0.576517D+01          0.760812          1.751835
 Vib (Bot)    3  0.442934D+01          0.646339          1.488250
 Vib (Bot)    4  0.388076D+01          0.588916          1.356030
 Vib (Bot)    5  0.323127D+01          0.509374          1.172877
 Vib (Bot)    6  0.179884D+01          0.254993          0.587144
 Vib (Bot)    7  0.132754D+01          0.123048          0.283328
 Vib (Bot)    8  0.954280D+00         -0.020324         -0.046798
 Vib (Bot)    9  0.878514D+00         -0.056251         -0.129523
 Vib (Bot)   10  0.871448D+00         -0.059759         -0.137599
 Vib (Bot)   11  0.783122D+00         -0.106171         -0.244467
 Vib (Bot)   12  0.775575D+00         -0.110376         -0.254150
 Vib (Bot)   13  0.661935D+00         -0.179185         -0.412588
 Vib (Bot)   14  0.581724D+00         -0.235283         -0.541759
 Vib (Bot)   15  0.519410D+00         -0.284490         -0.655062
 Vib (Bot)   16  0.468909D+00         -0.328911         -0.757346
 Vib (Bot)   17  0.429768D+00         -0.366766         -0.844510
 Vib (Bot)   18  0.418456D+00         -0.378350         -0.871183
 Vib (Bot)   19  0.411029D+00         -0.386128         -0.889092
 Vib (Bot)   20  0.378746D+00         -0.421652         -0.970889
 Vib (Bot)   21  0.285073D+00         -0.545044         -1.255011
 Vib (Bot)   22  0.272315D+00         -0.564929         -1.300797
 Vib (Bot)   23  0.236049D+00         -0.626999         -1.443718
 Vib (V=0)       0.112057D+07          6.049440         13.929351
 Vib (V=0)    1  0.866838D+01          0.937938          2.159682
 Vib (V=0)    2  0.628681D+01          0.798431          1.838454
 Vib (V=0)    3  0.495747D+01          0.695260          1.600895
 Vib (V=0)    4  0.441283D+01          0.644718          1.484517
 Vib (V=0)    5  0.376973D+01          0.576310          1.327004
 Vib (V=0)    6  0.236704D+01          0.374206          0.861640
 Vib (V=0)    7  0.191858D+01          0.282980          0.651585
 Vib (V=0)    8  0.157734D+01          0.197924          0.455737
 Vib (V=0)    9  0.151083D+01          0.179217          0.412662
 Vib (V=0)   10  0.150470D+01          0.177450          0.408593
 Vib (V=0)   11  0.142913D+01          0.155071          0.357065
 Vib (V=0)   12  0.142278D+01          0.153137          0.352610
 Vib (V=0)   13  0.132955D+01          0.123706          0.284843
 Vib (V=0)   14  0.126707D+01          0.102802          0.236711
 Vib (V=0)   15  0.122096D+01          0.086702          0.199639
 Vib (V=0)   16  0.118548D+01          0.073892          0.170144
 Vib (V=0)   17  0.115932D+01          0.064203          0.147832
 Vib (V=0)   18  0.115200D+01          0.061453          0.141501
 Vib (V=0)   19  0.114726D+01          0.059662          0.137376
 Vib (V=0)   20  0.112725D+01          0.052022          0.119785
 Vib (V=0)   21  0.107556D+01          0.031634          0.072839
 Vib (V=0)   22  0.106935D+01          0.029118          0.067048
 Vib (V=0)   23  0.105292D+01          0.022395          0.051566
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.294432D+07          6.468985         14.895388
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222211     
     2        87663109877542210                           051510999986210977651084321964309841776539755320526426552218528542205165432
     4        47100140481677084                           688214982050363252409908732428967464723468293747416307025014439196583443765
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX X X               X  XX                     
     X                X    X                              X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012700    0.000004108    0.000002110
      2        6           0.000003832   -0.000003949   -0.000007380
      3        6           0.000013699   -0.000002576    0.000000755
      4        6          -0.000020366   -0.000004231    0.000011014
      5        6          -0.000005743    0.000003624    0.000004170
      6        6           0.000006024   -0.000000305   -0.000001678
      7        6          -0.000024303    0.000024153   -0.000003980
      8        6           0.000004653   -0.000003215    0.000023074
      9        6          -0.000002592    0.000006428   -0.000003201
     10        6          -0.000001613   -0.000009465   -0.000016007
     11        6           0.000040442    0.000003018   -0.000008095
     12        6          -0.000008789    0.000014571   -0.000002467
     13        8           0.000003476   -0.000001409    0.000008463
     14        8           0.000001262   -0.000020050   -0.000011584
     15        1           0.000001000   -0.000002097   -0.000001753
     16        1          -0.000001688    0.000002540   -0.000001704
     17        1          -0.000001081    0.000001916   -0.000000008
     18        1          -0.000000212   -0.000002390    0.000002836
     19        1           0.000006289   -0.000006211    0.000000638
     20        1           0.000004256   -0.000012777    0.000001669
     21        1          -0.000001734    0.000001011   -0.000003171
     22        1          -0.000002522    0.000000341    0.000001864
     23        1           0.000003417   -0.000001134   -0.000001957
     24        1           0.000004705    0.000001067    0.000003888
     25        1           0.000000699    0.000001133   -0.000000059
     26        1          -0.000000260   -0.000002016    0.000000511
     27        1           0.000001306    0.000001178    0.000000453
     28        1          -0.000009673    0.000001666    0.000005288
     29        6           0.000008593   -0.000007335   -0.000006098
     30        1          -0.000001313    0.000004612   -0.000000603
     31        1          -0.000003081    0.000004579    0.000000327
     32        1          -0.000004225    0.000000154    0.000001640
     33        1          -0.000001758    0.000003064    0.000001044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040442 RMS     0.000008212
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219930D+03 -0.711690D+00  0.587698D+00
      2  -0.711690D+00  0.135570D+03 -0.129024D-01
      3   0.587698D+00 -0.129024D-01  0.154596D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.705835D+01 -0.182439D+01  0.238340D+02
      2  -0.444205D+02  0.472716D+01  0.437695D+02
      3  -0.995185D+02 -0.348805D+02 -0.178797D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.243047D+03  0.379789D+02 -0.765062D+02
      2  -0.131685D+03 -0.940797D+01  0.337064D+02
      3  -0.111361D+03 -0.285709D+02  0.427997D+02
      4  -0.437569D+02  0.639189D+02  0.104246D+02
      5  -0.475221D+02  0.692730D+01  0.941261D+02
      6   0.683529D+01  0.122260D+02 -0.521514D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.109166D+02  0.644238D+00  0.169091D+00  0.151333D+01  0.207596D+01
      2   0.644238D+00  0.170520D+01 -0.154830D+00  0.207596D+01 -0.174428D+01
      3   0.169091D+00 -0.154830D+00  0.377572D+01  0.758674D+00  0.347626D+01
                 6             7             8             9            10 
      1   0.758674D+00  0.139454D+02  0.612754D+00 -0.128166D+01  0.300075D+02
      2   0.347626D+01  0.612754D+00  0.153525D+01  0.361432D+00  0.109864D+01
      3  -0.400045D+00 -0.128166D+01  0.361432D+00  0.288244D+00 -0.148315D+01
                11            12            13            14            15 
      1   0.109864D+01 -0.148315D+01 -0.169695D+01  0.490720D+01  0.486163D+00
      2   0.157878D+01 -0.258468D+00  0.490720D+01 -0.101663D+01 -0.224197D+00
      3  -0.258468D+00  0.335381D+01  0.486163D+00 -0.224197D+00 -0.832251D+00
                16            17            18            19            20 
      1  -0.344854D+01  0.430114D+00  0.656321D+00  0.131209D+02 -0.571883D+00
      2   0.430114D+00 -0.396391D+00 -0.690812D+00 -0.571883D+00 -0.176833D+01
      3   0.656321D+00 -0.690812D+00  0.922311D+00 -0.242964D+00  0.120453D+01
                21            22            23            24            25 
      1  -0.242964D+00 -0.793930D+00 -0.193243D+01  0.558884D+00  0.121796D+02
      2   0.120453D+01 -0.193243D+01 -0.479753D+00  0.359762D+01 -0.897467D+00
      3  -0.300515D+01  0.558884D+00  0.359762D+01  0.499351D+00  0.116104D+01
                26            27            28            29            30 
      1  -0.897467D+00  0.116104D+01 -0.276074D+02 -0.268803D+00  0.453509D+00
      2   0.219396D+01  0.224136D+00 -0.268803D+00 -0.153217D+01 -0.571790D-01
      3   0.224136D+00  0.100539D+01  0.453509D+00 -0.571790D-01 -0.279104D+01
                31            32            33            34            35 
      1   0.274561D+01 -0.519490D+01 -0.791829D-01  0.134738D+01 -0.186639D+00
      2  -0.519490D+01  0.609035D+00 -0.648890D-01 -0.186639D+00 -0.631757D+00
      3  -0.791829D-01 -0.648890D-01  0.239137D+00 -0.426170D+00 -0.448561D+00
                36            37            38            39            40 
      1  -0.426170D+00  0.873968D+01 -0.340495D+00 -0.433285D+00  0.367098D+00
      2  -0.448561D+00 -0.340495D+00 -0.167048D+01 -0.850814D+00 -0.161107D+01
      3   0.957925D+00 -0.433285D+00 -0.850814D+00 -0.296564D+01 -0.436911D+00
                41            42            43            44            45 
      1  -0.161107D+01 -0.436911D+00 -0.136989D+02  0.578369D+00  0.205460D+00
      2   0.741261D+00 -0.301799D+01  0.578369D+00 -0.154513D+01 -0.466448D-01
      3  -0.301799D+01  0.305443D-01  0.205460D+00 -0.466448D-01 -0.121649D+01
                46            47            48            49            50 
      1  -0.104825D+02  0.939102D-01  0.535286D+00  0.200154D+01  0.135265D+01
      2   0.939102D-01  0.143298D+01  0.800120D-01  0.135265D+01 -0.373534D+00
      3   0.535286D+00  0.800120D-01  0.165782D+01 -0.700317D+00 -0.348981D+01
                51            52            53            54            55 
      1  -0.700317D+00 -0.111188D+02 -0.348699D+00 -0.334546D+00 -0.137823D+02
      2  -0.348981D+01 -0.348699D+00 -0.181867D+01 -0.115575D-01 -0.209907D+01
      3  -0.751504D+00 -0.334546D+00 -0.115575D-01 -0.117839D+01  0.440815D+00
                56            57            58            59            60 
      1  -0.209907D+01  0.440815D+00 -0.766009D+01 -0.700431D+01  0.465732D+00
      2  -0.287974D+01  0.380467D+00 -0.700431D+01 -0.480738D-01  0.153469D+01
      3   0.380467D+00 -0.200738D+01  0.465732D+00  0.153469D+01  0.296663D+01
                61            62            63            64            65 
      1   0.440930D+01  0.639166D+00 -0.389581D+01 -0.737610D+00  0.249484D+01
      2   0.639166D+00  0.208101D+01  0.397367D+01  0.249484D+01  0.353699D+01
      3  -0.389581D+01  0.397367D+01 -0.101932D+01  0.276248D+01 -0.889618D+00
                66            67            68            69            70 
      1   0.276248D+01  0.118508D+02  0.660351D+01 -0.190860D+01  0.712955D+00
      2  -0.889618D+00  0.660351D+01  0.107004D+01 -0.197752D+01 -0.125157D+01
      3   0.246792D+01 -0.190860D+01 -0.197752D+01 -0.350103D+01  0.366583D+01
                71            72            73            74            75 
      1  -0.125157D+01  0.366583D+01  0.512017D+01 -0.148673D+01 -0.249672D+01
      2  -0.246844D+01 -0.385815D+01 -0.148673D+01 -0.330792D+01  0.119828D+01
      3  -0.385815D+01  0.296298D+01 -0.249672D+01  0.119828D+01 -0.225698D+01
                76            77            78            79            80 
      1  -0.373957D+01 -0.547938D+01  0.154672D+01 -0.237521D+01  0.127464D+01
      2  -0.547938D+01 -0.214200D+01  0.307388D+01  0.127464D+01  0.276147D+01
      3   0.154672D+01  0.307388D+01  0.353771D+01 -0.373969D+01  0.377310D+01
                81            82            83            84            85 
      1  -0.373969D+01  0.565827D+01 -0.242024D+01 -0.187343D+01 -0.377894D+01
      2   0.377310D+01 -0.242024D+01 -0.322144D+01  0.826018D+00 -0.408350D+01
      3  -0.114438D+00 -0.187343D+01  0.826018D+00 -0.212797D+01  0.137072D+01
                86            87            88            89            90 
      1  -0.408350D+01  0.137072D+01 -0.158537D+01  0.116586D+01 -0.264132D+01
      2  -0.370147D+01  0.209021D+01  0.116586D+01  0.330267D+01  0.274527D+01
      3   0.209021D+01  0.307854D+01 -0.264132D+01  0.274527D+01 -0.302260D+01
                91            92            93            94            95 
      1   0.407074D+01  0.251457D+01 -0.216357D+00  0.739174D+00  0.636083D+01
      2   0.251457D+01  0.254121D+01  0.805923D+00  0.636083D+01 -0.213166D+01
      3  -0.216357D+00  0.805923D+00  0.997597D+00  0.606243D+00  0.153910D+01
                96            97            98            99           100 
      1   0.606243D+00  0.361664D+01  0.521808D+00  0.148838D+01  0.257598D+01
      2   0.153910D+01  0.521808D+00  0.341471D+01 -0.326663D+00 -0.111975D+01
      3  -0.192573D+00  0.148838D+01 -0.326663D+00 -0.471265D+01  0.205680D+01
               101           102           103           104           105 
      1  -0.111975D+01  0.205680D+01 -0.831874D+00 -0.159782D+01 -0.427817D+00
      2  -0.389109D+00 -0.666139D+00 -0.159782D+01  0.322341D+01 -0.188476D+01
      3  -0.666139D+00  0.821415D+00 -0.427817D+00 -0.188476D+01 -0.130437D+00
               106           107           108           109           110 
      1   0.293488D+01 -0.157905D+01  0.224970D+01 -0.479278D+01  0.924710D+00
      2  -0.157905D+01 -0.550613D+00 -0.152580D+01  0.924710D+00 -0.961843D+00
      3   0.224970D+01 -0.152580D+01  0.454679D+01 -0.391432D+01  0.482904D+00
               111           112           113           114           115 
      1  -0.391432D+01  0.724631D+00 -0.125123D+01  0.711567D+00 -0.829007D+01
      2   0.482904D+00 -0.125123D+01  0.329567D+00 -0.170351D+01  0.240162D+01
      3  -0.214810D+01  0.711567D+00 -0.170351D+01  0.896864D+00 -0.435479D+01
               116           117           118           119           120 
      1   0.240162D+01 -0.435479D+01  0.744470D+00  0.373781D+00  0.125203D+01
      2  -0.364225D+01  0.158085D+01  0.373781D+00  0.213233D+01 -0.217504D+00
      3   0.158085D+01 -0.923810D+01  0.125203D+01 -0.217504D+00  0.142827D+00
               121           122           123           124           125 
      1   0.972086D+00  0.159357D+01 -0.636800D+00  0.329125D+01 -0.203427D+01
      2   0.159357D+01 -0.358837D+01  0.302075D+01 -0.203427D+01  0.572414D+01
      3  -0.636800D+00  0.302075D+01  0.198463D+00 -0.458589D+00  0.187023D+01
               126           127           128           129           130 
      1  -0.458589D+00  0.327051D+01 -0.403485D+00  0.267344D+01 -0.106856D+01
      2   0.187023D+01 -0.403485D+00  0.429600D+00 -0.540362D+00  0.131114D+00
      3   0.315147D+01  0.267344D+01 -0.540362D+00  0.278127D+01 -0.536546D+00
               131           132           133           134           135 
      1   0.131114D+00 -0.536546D+00  0.286110D+01 -0.466302D+00  0.332709D+01
      2  -0.157173D+00  0.132519D+00 -0.466302D+00  0.871126D+00 -0.995765D+00
      3   0.132519D+00 -0.641696D+00  0.332709D+01 -0.995765D+00  0.650669D+01
               136           137           138           139           140 
      1  -0.219534D+01 -0.793041D-01  0.228101D+01  0.166357D+00  0.854418D-01
      2  -0.793041D-01 -0.161390D+00  0.616280D-01  0.854418D-01 -0.382952D-01
      3   0.228101D+01  0.616280D-01 -0.258824D+01 -0.907036D-01  0.227255D-01
               141           142           143           144           145 
      1  -0.907036D-01  0.220342D+01  0.250812D+00 -0.305372D+01 -0.379391D+01
      2   0.227255D-01  0.250812D+00  0.782564D+00 -0.531801D+00  0.599570D+00
      3  -0.268717D+00 -0.305372D+01 -0.531801D+00  0.832820D+01 -0.209783D+01
               146           147           148           149           150 
      1   0.599570D+00 -0.209783D+01  0.920913D+00 -0.173786D+00  0.440497D+00
      2  -0.495259D+00  0.231922D+00 -0.173786D+00  0.148158D+00 -0.136691D+00
      3   0.231922D+00 -0.194704D+01  0.440497D+00 -0.136691D+00  0.490087D+00
               151           152           153           154           155 
      1  -0.251388D+01  0.178436D+00 -0.282673D+01  0.226031D+01  0.467564D-01
      2   0.178436D+00 -0.741048D+00  0.403219D+00  0.467564D-01  0.180760D+00
      3  -0.282673D+01  0.403219D+00 -0.545459D+01 -0.213454D+01  0.171793D+00
               156           157           158           159           160 
      1  -0.213454D+01 -0.235002D+00 -0.567568D-01  0.119093D+00 -0.243379D+01
      2   0.171793D+00 -0.567568D-01 -0.463827D-01 -0.504987D-01 -0.901890D-01
      3   0.231131D+01  0.119093D+00 -0.504987D-01  0.162173D+00  0.300819D+01
               161           162           163           164           165 
      1  -0.901890D-01  0.300819D+01  0.247425D+01 -0.110198D+01 -0.133277D+01
      2  -0.735040D+00 -0.150697D+00 -0.110198D+01  0.136884D+01  0.531716D+00
      3  -0.150697D+00 -0.769198D+01 -0.133277D+01  0.531716D+00  0.719819D+00
               166           167           168           169           170 
      1  -0.155655D+01  0.237668D+01  0.941876D+00 -0.594293D+01  0.951253D+00
      2   0.237668D+01 -0.404923D+01 -0.226586D+01  0.951253D+00 -0.322770D+01
      3   0.941876D+00 -0.226586D+01 -0.185534D+01  0.237935D+01 -0.258864D+01
               171           172           173           174           175 
      1   0.237935D+01  0.253231D+01 -0.871302D+00  0.163316D+01 -0.179284D+00
      2  -0.258864D+01 -0.871302D+00  0.147687D+01 -0.709765D+00  0.159604D+01
      3  -0.293155D+01  0.163316D+01 -0.709765D+00  0.129127D+01 -0.556644D+00
               176           177           178           179           180 
      1   0.159604D+01 -0.556644D+00  0.446317D+01 -0.847323D+00  0.195374D+01
      2  -0.178791D+01  0.104341D+01 -0.847323D+00  0.204676D+01 -0.207822D+01
      3   0.104341D+01 -0.114949D+01  0.195374D+01 -0.207822D+01  0.345076D+01
               181           182           183           184           185 
      1  -0.175062D+01 -0.120906D+00 -0.160828D+01 -0.470086D+00 -0.925046D+00
      2  -0.120906D+00 -0.118475D+01  0.453706D+00 -0.925046D+00  0.134979D+01
      3  -0.160828D+01  0.453706D+00 -0.143842D+01  0.304863D+00 -0.102944D+01
               186           187           188           189           190 
      1   0.304863D+00 -0.274872D+01  0.189960D+00 -0.101909D+01  0.821064D+00
      2  -0.102944D+01  0.189960D+00 -0.136297D+01  0.178602D+01 -0.846076D+00
      3   0.197242D+01 -0.101909D+01  0.178602D+01 -0.515032D+01 -0.916045D+00
               191           192           193           194           195 
      1  -0.846076D+00 -0.916045D+00 -0.233415D+01  0.187222D+01  0.131663D+01
      2   0.749686D+00  0.394613D+00  0.187222D+01 -0.284424D+01 -0.246209D+01
      3   0.394613D+00  0.103068D+01  0.131663D+01 -0.246209D+01 -0.295091D+01
               196           197           198           199           200 
      1  -0.264400D+01  0.979887D+00  0.262081D+01  0.344135D+01 -0.779973D+00
      2   0.979887D+00 -0.262813D+01 -0.261211D+01 -0.779973D+00  0.111008D+01
      3   0.262081D+01 -0.261211D+01 -0.468669D+01  0.178248D+01 -0.602867D+00
               201           202           203           204           205 
      1   0.178248D+01 -0.174139D+01  0.165709D+01 -0.804153D+00  0.481866D+01
      2  -0.602867D+00  0.165709D+01 -0.108572D+01  0.623123D+00 -0.105541D+01
      3   0.169014D+01 -0.804153D+00  0.623123D+00 -0.144027D+01  0.263667D+01
               206           207           208           209           210 
      1  -0.105541D+01  0.263667D+01  0.413402D+01  0.261855D+01 -0.923310D+00
      2   0.130417D+01 -0.136242D+01  0.261855D+01  0.234667D+01 -0.779162D+00
      3  -0.136242D+01  0.360717D+01 -0.923310D+00 -0.779162D+00  0.933214D+00
               211           212           213           214           215 
      1   0.615456D+01  0.430064D+01 -0.165587D+01 -0.131483D+01 -0.996211D+00
      2   0.430064D+01  0.533951D+01 -0.158345D+01 -0.996211D+00 -0.133051D+01
      3  -0.165587D+01 -0.158345D+01  0.126136D+01  0.167965D+01  0.721276D+00
               216           217           218           219           220 
      1   0.167965D+01  0.133914D+01  0.183013D+00  0.174152D+01 -0.657227D+00
      2   0.721276D+00  0.183013D+00  0.102650D+01 -0.163582D-01  0.595388D+00
      3  -0.109017D+01  0.174152D+01 -0.163582D-01  0.230777D+01 -0.633737D+00
               221           222           223           224           225 
      1   0.595388D+00 -0.633737D+00  0.234656D+01  0.433178D-01  0.219239D+01
      2  -0.311455D+00  0.549411D+00  0.433178D-01  0.115722D+01 -0.175224D+00
      3   0.549411D+00 -0.181011D+01  0.219239D+01 -0.175224D+00  0.612482D+01
               226           227           228           229           230 
      1  -0.836458D+01  0.540942D+00  0.108205D+01  0.316503D+00 -0.111942D+01
      2   0.540942D+00 -0.202968D+01 -0.802477D+00 -0.111942D+01  0.118445D+01
      3   0.108205D+01 -0.802477D+00 -0.104578D+01 -0.501951D+00  0.820100D-01
               231           232           233           234           235 
      1  -0.501951D+00  0.112755D+01 -0.351741D+00 -0.475596D+00  0.216720D+01
      2   0.820100D-01 -0.351741D+00 -0.463068D-01  0.192452D+00  0.264687D+01
      3   0.121434D+00 -0.475596D+00  0.192452D+00  0.961449D+00  0.117713D+00
               236           237           238           239           240 
      1   0.264687D+01  0.117713D+00  0.291407D+01  0.382879D+01 -0.857590D-01
      2   0.326059D+01  0.523841D-01  0.382879D+01  0.850286D+01 -0.123541D+00
      3   0.523841D-01  0.786802D+00 -0.857590D-01 -0.123541D+00  0.791236D+00
               241           242           243           244           245 
      1  -0.886732D+00 -0.766198D+00  0.796814D+00  0.249058D+00 -0.426447D+00
      2  -0.766198D+00 -0.173854D+01  0.675083D+00 -0.426447D+00 -0.531325D+00
      3   0.796814D+00  0.675083D+00 -0.183518D+00  0.160667D+01 -0.111762D+00
               246           247           248           249           250 
      1   0.160667D+01 -0.457599D+00 -0.995776D+00 -0.104978D+00  0.298300D+01
      2  -0.111762D+00 -0.995776D+00  0.245731D+00  0.747389D+00 -0.551517D-01
      3  -0.118365D+01 -0.104978D+00  0.747389D+00  0.198247D-01 -0.202099D+01
               251           252           253           254           255 
      1  -0.551517D-01 -0.202099D+01  0.821870D+01 -0.829306D+00 -0.132124D+01
      2   0.119846D+01  0.385705D-01 -0.829306D+00 -0.379022D+01 -0.111289D+00
      3   0.385705D-01  0.627963D+01 -0.132124D+01 -0.111289D+00 -0.112333D+01
               256           257           258           259           260 
      1  -0.610617D+01 -0.441576D+01 -0.648059D+00 -0.439794D+01 -0.805993D+00
      2  -0.441576D+01  0.145723D+01 -0.257980D+01 -0.805993D+00 -0.357508D+01
      3  -0.648059D+00 -0.257980D+01  0.384938D+00 -0.133034D+01  0.112681D+01
               261           262           263           264           265 
      1  -0.133034D+01 -0.110759D+01  0.160497D+01  0.549429D-01  0.161461D+01
      2   0.112681D+01  0.160497D+01 -0.216726D+01  0.327269D-01 -0.281300D+01
      3   0.391278D+01  0.549429D-01  0.327269D-01 -0.300315D+00  0.164579D+00
               266           267           268           269           270 
      1  -0.281300D+01  0.164579D+00 -0.770956D+00  0.133650D+01 -0.447720D+00
      2   0.927998D+01 -0.339013D+00  0.133650D+01 -0.378914D+01  0.112283D+01
      3  -0.339013D+00  0.126122D+01 -0.447720D+00  0.112283D+01 -0.382630D+00
               271           272           273           274           275 
      1  -0.251647D+00  0.111334D+00 -0.575198D+00  0.535459D+00  0.255524D+00
      2   0.111334D+00  0.631458D+00  0.183191D+00  0.255524D+00 -0.532266D+00
      3  -0.575198D+00  0.183191D+00  0.379504D+00 -0.410228D-01 -0.543430D+00
               276           277           278           279           280 
      1  -0.410228D-01 -0.219949D+01 -0.561320D+00 -0.513605D+00 -0.151489D+02
      2  -0.543430D+00 -0.561320D+00 -0.178105D+01 -0.140560D+01 -0.207259D+01
      3  -0.741416D+00 -0.513605D+00 -0.140560D+01 -0.573058D+01  0.429503D+00
               281           282           283           284           285 
      1  -0.207259D+01  0.429503D+00  0.953573D+00 -0.893947D+00  0.604082D-01
      2  -0.155340D+01 -0.543724D-01 -0.893947D+00 -0.208510D+00  0.290031D+00
      3  -0.543724D-01 -0.980650D+00  0.604082D-01  0.290031D+00  0.878427D-01
               286           287           288           289           290 
      1   0.174325D+01  0.373059D+00 -0.121835D+01 -0.136805D-01 -0.658356D+00
      2   0.373059D+00  0.614876D+00 -0.289830D+00 -0.658356D+00  0.213578D+01
      3  -0.121835D+01 -0.289830D+00 -0.115611D-01  0.496929D+00 -0.268846D+00
               291           292           293           294           295 
      1   0.496929D+00 -0.118296D+01 -0.445375D-01 -0.358717D-02  0.138605D+01
      2  -0.268846D+00 -0.445375D-01 -0.719407D+01  0.165335D+01  0.365970D+00
      3   0.460802D+00 -0.358717D-02  0.165335D+01 -0.133399D+01  0.172585D-01
               296           297 
      1   0.365970D+00  0.172585D-01
      2   0.302039D+01 -0.149646D+01
      3  -0.149646D+01  0.808961D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.263308D+01  0.252485D+01  0.238461D+01  0.918072D+01  0.158342D+01
      2   0.574473D+01 -0.157617D+01  0.323151D+01 -0.193871D+01 -0.827623D+00
      3   0.136959D+02 -0.187444D+01 -0.731651D+00  0.105473D+02  0.139647D+00
                 6             7             8             9            10 
      1  -0.215182D+01 -0.919270D+00  0.314121D+01  0.418104D+00 -0.417314D+01
      2  -0.206223D+00 -0.901681D+01  0.398489D+00 -0.381510D+00 -0.151803D+02
      3  -0.497319D+01 -0.135097D+02 -0.235485D+01  0.964916D+00 -0.284396D+02
                11            12            13            14            15 
      1  -0.703886D+00  0.170055D+01  0.160337D+01  0.418676D+00 -0.102822D+02
      2   0.252306D-01 -0.297557D+01  0.231783D+01 -0.202246D+01 -0.173635D+00
      3  -0.101651D+00  0.598153D+00  0.108576D+02 -0.199865D+01  0.160076D+00
                16            17            18            19            20 
      1  -0.339453D+01 -0.360473D+01 -0.705773D+00 -0.288613D+01 -0.132308D+01
      2  -0.247547D+02 -0.290534D+01 -0.345920D+01 -0.738677D+01  0.239807D+00
      3   0.260331D+01  0.505031D+00 -0.628459D-01 -0.123294D+02  0.509866D+00
                21            22            23            24            25 
      1  -0.137354D+01 -0.568877D+01  0.236177D+01  0.751348D+00 -0.203453D+00
      2   0.777649D+01 -0.153798D+01  0.653150D+00 -0.131929D+01 -0.108022D+02
      3  -0.185321D+00  0.115044D+02  0.600430D+00  0.342310D+01 -0.115086D+02
                26            27            28            29            30 
      1   0.395596D+01  0.124411D+01  0.174898D+01 -0.285296D+00 -0.275795D+01
      2   0.664102D+00  0.190240D+01  0.113398D+02  0.104761D+01 -0.394413D+01
      3   0.408957D+01 -0.168219D+01  0.245578D+02 -0.208057D+00 -0.984176D+00
                31            32            33            34            35 
      1  -0.319690D+01  0.146136D+01 -0.101971D+02 -0.458601D+01 -0.274213D+01
      2  -0.354519D+00  0.295284D+01  0.134587D+01 -0.269809D+02  0.130628D+01
      3   0.746397D+01  0.409716D+01 -0.393204D+00 -0.500910D+00 -0.376895D+01
                36            37            38            39            40 
      1  -0.173799D+00 -0.127416D+01  0.123217D+01 -0.152564D+01  0.704080D+01
      2  -0.343578D+00 -0.104191D+02 -0.147922D+01  0.541195D+01 -0.921048D+00
      3   0.350742D+01 -0.921294D+01 -0.640747D+00  0.158570D+01  0.131002D+02
                41            42            43            44            45 
      1  -0.240966D+01 -0.298229D+01  0.299786D+01  0.206677D+01 -0.133741D+01
      2  -0.160269D+01  0.278040D+00  0.493063D+01  0.202396D+00 -0.373975D+01
      3   0.270073D+00 -0.386663D+01  0.133424D+02 -0.214402D+01 -0.183646D+01
                46            47            48            49            50 
      1   0.294951D+01 -0.157290D+01  0.181216D+01 -0.691129D+01 -0.190562D+01
      2   0.120842D+02  0.368240D+00  0.104879D+02 -0.132126D+01  0.811796D+00
      3   0.143572D+02 -0.804161D+00  0.790329D+00  0.121728D+02 -0.701331D+00
                51            52            53            54            55 
      1  -0.221491D+01  0.149351D+01  0.301907D+01 -0.472961D+00  0.334386D+01
      2  -0.200249D+01  0.333763D+01 -0.801382D-01  0.566210D+01  0.238131D+01
      3   0.373847D+01  0.119611D+02  0.125402D+01  0.966245D+00  0.146621D+02
                56            57            58            59            60 
      1   0.179065D+01 -0.110422D+01  0.496433D+01  0.417173D+01  0.180077D+01
      2   0.315721D+00 -0.401723D+01  0.124701D+01  0.582009D+01  0.133786D+02
      3   0.734413D+01 -0.957445D+00  0.362065D+02  0.783852D+01 -0.507855D+01
                61            62            63            64            65 
      1  -0.165813D+01  0.655316D+01 -0.173463D+01 -0.449483D+01 -0.107321D+01
      2  -0.229073D+02  0.144715D+02 -0.590238D+01  0.824362D+01 -0.281991D+01
      3  -0.726357D+01 -0.657001D+01 -0.959301D+01 -0.171678D+02 -0.182593D+02
                66            67            68            69            70 
      1  -0.150928D+01 -0.247118D+01 -0.720514D+00  0.293364D+00  0.185509D+01
      2   0.145265D+02 -0.749515D+01 -0.668080D+01 -0.176093D+02  0.116820D+02
      3   0.502767D+01 -0.283365D+02 -0.502634D+01  0.618109D+01  0.954359D+01
                71            72            73            74            75 
      1   0.714193D+01 -0.381487D+00  0.166712D+01  0.201801D+01 -0.473182D+00
      2  -0.168125D+02  0.155771D+02 -0.906206D+01  0.546437D+01 -0.136280D+02
      3   0.908239D+01  0.163568D+02  0.876878D+01  0.169129D+02 -0.701342D+01
                76            77            78            79            80 
      1   0.375279D+01  0.838946D+00 -0.495332D+01 -0.113115D+00 -0.164650D+01
      2   0.648445D+01  0.135038D+02  0.224384D+02 -0.277027D+02  0.221050D+02
      3   0.351250D+02  0.107462D+02 -0.174457D+02 -0.695291D+01 -0.152267D+02
                81            82            83            84            85 
      1  -0.241432D+01  0.304305D+01 -0.453988D+01  0.490583D+01 -0.607981D+01
      2  -0.188641D+01 -0.140847D+02  0.643767D+01 -0.300065D+01  0.841855D+01
      3  -0.213584D+02  0.215338D+02  0.507611D+01 -0.751391D+01  0.128976D+02
                86            87            88            89            90 
      1  -0.992365D+01 -0.683205D+01  0.608176D+01 -0.914082D+00  0.872081D+01
      2   0.104606D+02  0.100346D+02 -0.869674D+01  0.884271D+01 -0.975031D+01
      3   0.735747D+01 -0.598328D+01 -0.873296D+01 -0.986183D+01 -0.132728D+02
                91            92            93            94            95 
      1   0.682192D+00  0.938652D+00  0.188873D+01  0.169387D+01 -0.866589D+00
      2  -0.439758D+01 -0.343779D+01  0.516266D+00  0.587277D+00 -0.933435D+01
      3  -0.272209D+00  0.289838D+01  0.271092D+01  0.324397D+02 -0.110889D+02
                96            97            98            99           100 
      1  -0.316751D+01  0.225185D+01  0.486387D+01 -0.164165D+01 -0.712474D+00
      2   0.115239D+00 -0.160286D+02  0.181370D+01  0.167025D+02  0.519026D+01
      3   0.561046D+01 -0.252355D+01  0.103471D+02 -0.242763D+01  0.114977D+02
               101           102           103           104           105 
      1  -0.615780D+01 -0.333797D+01 -0.184543D+01  0.281424D+00  0.107150D+01
      2   0.206419D+00  0.405721D+01 -0.233511D+01  0.836849D+01  0.576476D+01
      3  -0.158638D+02 -0.166733D+01 -0.936281D+01  0.450426D+01 -0.367580D+01
               106           107           108           109           110 
      1  -0.631647D+01 -0.108202D+01 -0.436190D+01  0.412998D+01  0.362903D+01
      2  -0.630352D+01  0.615191D+01 -0.239260D+02  0.893457D+01 -0.127507D+01
      3  -0.583242D+01  0.641485D+01 -0.405253D+01 -0.344100D+01 -0.332369D+01
               111           112           113           114           115 
      1   0.281537D+01  0.652476D+00  0.559639D+00 -0.341519D+01  0.349638D+01
      2   0.873155D+01  0.148674D+00  0.584785D+01 -0.522550D+01  0.741188D+01
      3  -0.844730D+00 -0.101424D+01  0.297077D+01 -0.620830D+01  0.991837D+01
               116           117           118           119           120 
      1   0.850507D+01  0.109931D+02 -0.346346D+01  0.219541D+01 -0.521545D+00
      2  -0.457440D+01  0.364310D+02 -0.570482D+01  0.146251D+01  0.997099D+00
      3  -0.173218D+02  0.434583D+01  0.381644D+00  0.739128D+01  0.166128D+01
               121           122           123           124           125 
      1   0.407435D+00 -0.443293D+01 -0.369951D+01 -0.210309D+01  0.598020D+01
      2  -0.513947D+00 -0.107030D+02 -0.171567D+01 -0.198468D+01 -0.537618D+01
      3   0.747866D+01 -0.754140D+01  0.948076D+01 -0.387829D+01  0.171145D+02
               126           127           128           129           130 
      1  -0.825199D+01  0.211629D+01  0.195248D+01  0.190502D+01 -0.914464D+00
      2  -0.107128D+02 -0.580336D+01 -0.105967D+00 -0.894413D+00  0.140871D+01
      3   0.643390D+01 -0.307377D+01 -0.143570D+01 -0.182037D+01  0.257289D+01
               131           132           133           134           135 
      1  -0.755330D-01 -0.217118D+01  0.262417D+01  0.289595D+01  0.473405D+01
      2  -0.102129D+00 -0.143227D+00 -0.415118D+01 -0.127497D+00  0.145776D+01
      3   0.222742D+00  0.321774D+00 -0.265497D+01 -0.193439D+01 -0.196825D+01
               136           137           138           139           140 
      1   0.175507D+01 -0.160936D+01 -0.201610D+01  0.447777D+00  0.973207D-01
      2   0.477662D+01  0.389787D-01 -0.128153D+01 -0.473994D+00 -0.787017D-01
      3   0.153993D+01 -0.759871D+00 -0.161465D+01  0.117111D+01 -0.355630D-01
               141           142           143           144           145 
      1  -0.217254D+01 -0.190567D+01  0.381465D+01  0.516199D+01 -0.268906D+01
      2   0.463455D+00 -0.482674D+01 -0.190117D+00 -0.102317D+01 -0.818270D+01
      3  -0.962919D-01 -0.141746D+01  0.165492D+01  0.193689D+01  0.264088D+01
               146           147           148           149           150 
      1   0.262659D+01 -0.145973D+01  0.575089D+00 -0.519406D+00 -0.114790D+01
      2   0.131863D+01 -0.125839D+01  0.130879D+01 -0.248066D+00  0.338033D+00
      3  -0.158018D+01  0.144851D+01  0.540706D+00  0.433238D+00 -0.174889D+00
               151           152           153           154           155 
      1  -0.181725D+01  0.344361D+01 -0.333651D+01 -0.202288D+01 -0.151348D+01
      2  -0.395300D+01  0.854676D-01  0.131922D+01  0.475346D+01  0.429268D+00
      3   0.151844D+01 -0.225715D+01  0.196998D+01 -0.137940D+01 -0.787513D+00
               156           157           158           159           160 
      1   0.135280D+01  0.240170D+00 -0.858546D-01 -0.192956D+01  0.261399D+01
      2  -0.766724D+00 -0.165809D+00 -0.260396D+00 -0.625406D-01 -0.447195D+01
      3   0.123115D+01  0.166800D+01  0.221360D+00 -0.896320D-01  0.192196D+01
               161           162           163           164           165 
      1   0.379130D+01 -0.523163D+01 -0.965705D+00 -0.140672D+00  0.136453D+01
      2  -0.349706D+00 -0.234814D+01 -0.487931D+01  0.150857D+01  0.427054D+01
      3   0.190179D+01 -0.174120D+01 -0.151337D+00 -0.444800D+01 -0.158032D+00
               166           167           168           169           170 
      1   0.564483D+00 -0.119835D+01 -0.358250D+01  0.265037D+01 -0.831426D+00
      2   0.239456D+01 -0.800417D+01 -0.716341D+01  0.592230D+01 -0.958560D+01
      3  -0.326705D+01  0.101453D+02  0.529044D+01  0.383403D+01  0.966335D+01
               171           172           173           174           175 
      1  -0.385218D+01  0.168265D+01 -0.184877D+00  0.191652D+01 -0.129179D+01
      2  -0.960338D+01  0.610907D+01 -0.255768D+01  0.631979D+01 -0.150513D+01
      3   0.533030D+01 -0.303311D+00 -0.522830D+01  0.718321D+00 -0.231609D+01
               176           177           178           179           180 
      1   0.803333D+00 -0.312960D+01  0.199215D+01 -0.441627D+00  0.502401D+01
      2   0.309969D+01 -0.455390D+01  0.285905D+01 -0.747467D+01  0.128354D+02
      3   0.390275D+01 -0.206730D+01 -0.267011D+01 -0.629564D+01  0.416132D+01
               181           182           183           184           185 
      1   0.253062D+01  0.149468D+01  0.143119D+01  0.556368D+00 -0.548581D+00
      2  -0.103322D+02  0.155271D+01 -0.648426D+01  0.125532D+01 -0.475303D+01
      3  -0.219371D+01  0.355043D+01 -0.278254D+01  0.574057D+01 -0.529979D+01
               186           187           188           189           190 
      1  -0.207958D+01  0.149205D+01  0.185390D+01  0.298119D+01  0.113221D+01
      2   0.737652D+01 -0.100022D+02  0.687582D+01 -0.208147D+02 -0.454445D+01
      3   0.420667D+01 -0.319033D+01  0.483347D+01 -0.831972D+01  0.456750D+01
               191           192           193           194           195 
      1  -0.994813D+00 -0.263081D+00 -0.150685D+01  0.390872D+01  0.951172D+00
      2   0.158843D+01  0.577184D+01  0.379317D+01 -0.120191D+02 -0.161317D+02
      3  -0.512771D+01 -0.255649D+01 -0.769092D+01  0.159374D+02  0.131509D+02
               196           197           198           199           200 
      1  -0.113829D+01  0.483480D+01  0.210773D+01  0.142208D+00 -0.182347D-02
      2   0.944338D+01 -0.138682D+02 -0.237647D+02  0.120084D+02 -0.403109D+01
      3  -0.435351D+01  0.150541D+02  0.142692D+02  0.469746D+01 -0.754271D+01
               201           202           203           204           205 
      1   0.541401D+00 -0.694331D+00 -0.894482D-01 -0.117717D+01 -0.241416D-01
      2   0.123141D+02 -0.507290D+01  0.445247D+01 -0.945799D+01  0.146160D+02
      3   0.365434D+01 -0.737433D+01  0.641908D+01 -0.338704D+01  0.567101D+01
               206           207           208           209           210 
      1   0.155809D+01  0.721819D+00 -0.186324D+01 -0.197004D+01 -0.580257D+00
      2  -0.838780D+01  0.230331D+02 -0.169055D+01 -0.234861D+01  0.655251D+01
      3  -0.839827D+01  0.784047D+01 -0.123385D+02 -0.143948D+02  0.423172D+01
               211           212           213           214           215 
      1  -0.233026D+01 -0.430287D+01 -0.147913D+01  0.192336D-01  0.177376D+01
      2  -0.428246D+01 -0.572299D+01  0.697826D+01  0.697118D+01  0.288761D+01
      3  -0.190891D+02 -0.297451D+02  0.817239D+01  0.486335D+01  0.759262D+01
               216           217           218           219           220 
      1   0.377698D+00 -0.337870D+01  0.188787D+01 -0.433911D+01  0.148947D+01
      2  -0.487922D+01  0.481006D+01  0.134037D+00  0.795679D+01 -0.710658D+00
      3  -0.329113D+01  0.472154D+00 -0.462786D+01  0.222448D+01 -0.183718D+01
               221           222           223           224           225 
      1  -0.211957D+01  0.281031D+01 -0.412364D+01  0.460966D+01 -0.118567D+02
      2   0.147694D+01 -0.691024D+01  0.229219D+01 -0.751635D+00  0.204281D+02
      3   0.254777D+01 -0.249109D+01  0.317860D+01 -0.520461D+01  0.338213D+01
               226           227           228           229           230 
      1  -0.342612D+01 -0.100181D+01  0.233357D+01 -0.403036D+00  0.427712D+00
      2   0.143757D+02 -0.284165D+01 -0.318982D+01 -0.185598D+01  0.155377D+01
      3  -0.214074D+02  0.574098D+01  0.491841D+01  0.612793D+01 -0.481792D+01
               231           232           233           234           235 
      1  -0.480640D+00  0.239263D+01  0.141563D+01 -0.163914D+01  0.173202D+01
      2  -0.724167D-01 -0.579321D+01  0.430202D+00  0.314928D+01 -0.111341D+01
      3  -0.114158D+01  0.390205D+01 -0.813044D-01 -0.184548D+01 -0.580237D+01
               236           237           238           239           240 
      1   0.292022D+01 -0.296766D+01  0.423744D+01  0.739194D+01 -0.451448D+01
      2  -0.165211D+01  0.404508D+01 -0.306806D+01 -0.354126D+01  0.412859D+01
      3  -0.962861D+01 -0.182557D+00 -0.556890D+01 -0.262952D+02 -0.515846D-02
               241           242           243           244           245 
      1  -0.205370D+01 -0.137834D+01  0.130606D+01  0.391916D+00 -0.637448D+00
      2   0.245161D+01  0.267083D+01 -0.105663D+01 -0.642937D+01  0.555977D+00
      3   0.148391D+01  0.573121D+01 -0.119239D+01 -0.100314D+01 -0.230897D+01
               246           247           248           249           250 
      1  -0.720049D+00 -0.385678D+00  0.761009D+00 -0.334263D+00 -0.119207D+01
      2   0.385493D+01  0.313151D+00 -0.152811D+01 -0.190612D-01  0.110282D+01
      3  -0.105533D+01 -0.135312D+01  0.100767D+01  0.205629D+01 -0.123868D+01
               251           252           253           254           255 
      1   0.336013D+01  0.237349D+01 -0.176744D+01  0.518009D+00 -0.300008D+01
      2  -0.246839D+00 -0.197256D+02  0.950628D+01  0.147963D+01  0.727569D+01
      3   0.342232D+01  0.162528D+01 -0.196074D+02 -0.163459D+02  0.171657D+01
               256           257           258           259           260 
      1  -0.144269D+01 -0.621184D+01  0.686470D+00 -0.807831D+00  0.557211D+01
      2   0.447609D+01  0.108691D+02 -0.322788D+01  0.494872D+01 -0.500720D+01
      3  -0.872527D+01  0.129611D+02 -0.964836D+01  0.123721D+01 -0.122555D+02
               261           262           263           264           265 
      1   0.825022D+01  0.878954D+00 -0.114127D+01  0.106651D+01 -0.245125D+01
      2  -0.184984D+02  0.220855D+00 -0.748975D+00  0.913945D+00 -0.972371D+00
      3   0.601759D+01  0.330576D+01 -0.505040D+01 -0.628756D+00 -0.436923D+01
               266           267           268           269           270 
      1   0.710631D+01 -0.401100D+01  0.116438D+01 -0.275423D+01  0.253006D+01
      2   0.268062D+01 -0.445575D+01  0.110381D+01 -0.402539D+01  0.183248D+01
      3   0.279825D+02 -0.785580D+00  0.274766D+01 -0.120961D+02  0.333550D+01
               271           272           273           274           275 
      1  -0.171664D+01 -0.487119D+00  0.959715D+00 -0.208236D+00 -0.140235D+01
      2   0.471026D+01 -0.399028D+00 -0.218740D+01  0.982535D+00  0.226157D+01
      3  -0.135932D-01  0.159410D+01  0.148057D+01  0.116145D+01 -0.217430D+01
               276           277           278           279           280 
      1  -0.184173D+01  0.127695D+00  0.819438D+00 -0.116833D+02  0.834804D+00
      2   0.276568D+01 -0.254169D+01  0.511090D+01  0.235791D+02 -0.341001D+01
      3  -0.181759D+01  0.195506D+01 -0.556906D+01 -0.470875D+01  0.161075D+02
               281           282           283           284           285 
      1   0.849998D-01 -0.234254D+01  0.335226D+00  0.693282D+00 -0.490658D+00
      2   0.238380D+00  0.760586D+01 -0.686266D+00 -0.132150D+01  0.213852D+00
      3  -0.658527D+01 -0.119683D+01 -0.351767D+01  0.586573D+00  0.115587D+01
               286           287           288           289           290 
      1  -0.207481D+01  0.306447D+00 -0.281637D+00  0.143946D+01 -0.474868D+00
      2   0.392419D+01  0.947624D+00  0.384085D+00 -0.227473D+01  0.855621D+00
      3  -0.127467D+01  0.207666D+01  0.650447D+00 -0.429325D+01  0.811528D+01
               291           292           293           294           295 
      1   0.191342D+01 -0.213555D+00  0.395161D+01 -0.523134D+01  0.822315D+00
      2  -0.168525D+01  0.752375D-01 -0.606235D+01  0.483046D+01 -0.205176D+01
      3  -0.209990D+01  0.501858D+01 -0.265206D+02  0.667207D+01 -0.217947D+01
               296           297 
      1  -0.208748D+01  0.240793D+01
      2   0.515176D+01 -0.276893D+01
      3   0.106023D+02 -0.574143D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.767849D+01  0.318574D+01 -0.283424D+02  0.742637D+01 -0.130407D+02
      2   0.486218D+01 -0.381565D+01  0.815086D+01 -0.719541D+01  0.132535D+02
      3   0.281631D+01  0.629907D+00  0.201915D+02 -0.230956D+00 -0.212846D+00
      4   0.555252D+01  0.326310D+01  0.341114D+01  0.109133D+02 -0.326102D+01
      5  -0.127078D+02  0.340324D+01 -0.603189D+01  0.396852D+01  0.653960D+01
      6   0.290688D+01  0.533217D+01 -0.388233D+01  0.445598D+01 -0.101748D+02
                 6             7             8             9            10 
      1   0.103726D+02  0.369267D+02  0.369188D+01  0.701253D+01  0.474160D+02
      2  -0.115891D+02 -0.331502D+01 -0.667459D+01  0.319209D+01 -0.196674D+02
      3   0.121656D+01 -0.336116D+02  0.298271D+01 -0.102046D+02 -0.277486D+02
      4   0.600551D+01 -0.354833D+01  0.511338D+01  0.266382D+01 -0.121386D+02
      5   0.251060D+01  0.216406D+01  0.181342D+01 -0.893971D+01 -0.104412D+02
      6   0.142506D+02  0.457429D+01  0.541165D+01  0.259697D+01  0.639608D+01
                11            12            13            14            15 
      1   0.708358D+01 -0.484035D+01  0.732470D+01  0.104268D+01  0.843306D+00
      2  -0.618451D+01  0.914810D+00 -0.123939D+02  0.919529D+01  0.124479D+01
      3  -0.899074D+00  0.392554D+01  0.506921D+01 -0.102380D+02 -0.208809D+01
      4  -0.742570D+00  0.116664D+00  0.216161D+02 -0.558057D+01 -0.114327D+01
      5  -0.648431D+00  0.964976D+01  0.447141D+01 -0.355053D+00 -0.308794D+01
      6   0.132770D+01 -0.796858D+01  0.979790D+00  0.195876D+01  0.603203D+01
                16            17            18            19            20 
      1  -0.960398D+01 -0.127520D+01 -0.194412D+02  0.643474D+01 -0.681373D+01
      2  -0.107729D+01  0.356768D+01 -0.132185D+01 -0.172012D+00  0.579658D+01
      3   0.106813D+02 -0.229248D+01  0.207631D+02 -0.626273D+01  0.101715D+01
      4   0.161362D+01 -0.163362D+01 -0.336229D+01 -0.438273D+01 -0.528111D+00
      5  -0.176362D+02 -0.323156D+01  0.589094D+00  0.119502D+02 -0.245487D+00
      6  -0.645564D+00 -0.426996D+01 -0.177815D+01 -0.197286D+01 -0.646832D+01
                21            22            23            24            25 
      1   0.280235D+02 -0.541705D+00 -0.121347D+02 -0.117226D+01 -0.212939D+02
      2  -0.117672D+02  0.226204D+01  0.891144D+01 -0.697269D+01 -0.287186D+01
      3  -0.162563D+02 -0.172034D+01  0.322324D+01  0.814495D+01  0.241657D+02
      4   0.113032D+01  0.130802D+02  0.357445D+01 -0.550248D+01 -0.504594D+01
      5  -0.119536D+02 -0.429591D+01 -0.486353D+01  0.203059D+01  0.673457D+01
      6   0.855102D+01 -0.444776D+01 -0.632634D+01  0.160360D+02 -0.244555D+01
                26            27            28            29            30 
      1   0.119808D+01  0.892384D+01  0.180028D+02 -0.759863D+00  0.276442D+01
      2  -0.365229D+01  0.542125D+01 -0.201721D+01  0.467559D+01  0.183006D+01
      3   0.245421D+01 -0.143451D+02 -0.159856D+02 -0.391572D+01 -0.459447D+01
      4  -0.655505D+01 -0.323032D+00  0.233196D+02  0.170849D+01  0.644777D-01
      5  -0.463589D+00  0.928152D+01  0.248774D+00  0.224376D-01  0.802823D+01
      6   0.763464D+01  0.214982D+00 -0.612036D+00 -0.284262D+01  0.396311D+01
                31            32            33            34            35 
      1  -0.277591D+01  0.156728D+01  0.143034D+01 -0.384138D+01  0.357529D+01
      2   0.516818D+01  0.694365D+01 -0.905215D+00 -0.710986D+00  0.771290D+00
      3  -0.239227D+01 -0.851093D+01 -0.525126D+00  0.455237D+01 -0.434658D+01
      4   0.196260D+02  0.240764D+01  0.194377D+01  0.684715D+00  0.580427D+01
      5   0.859866D+00  0.137069D+01 -0.337079D+00 -0.217185D+02 -0.260249D+00
      6  -0.342999D+01  0.878486D+00  0.326228D+01  0.125495D+01 -0.449045D+01
                36            37            38            39            40 
      1  -0.238261D+02  0.808117D+00 -0.140042D+01 -0.281097D+02 -0.264960D+01
      2   0.280234D+00 -0.712066D+00  0.288259D+01  0.106750D+02  0.137167D+01
      3   0.235458D+02 -0.960513D-01 -0.148217D+01  0.174347D+02  0.127792D+01
      4  -0.299370D+01 -0.116027D+01  0.162883D+01  0.547373D+00  0.562497D+01
      5  -0.462727D+00 -0.210531D+02  0.148663D+01 -0.141458D+01  0.258482D+01
      6  -0.367868D+01  0.491611D+01  0.604099D+01  0.541931D+01  0.647812D+01
                41            42            43            44            45 
      1  -0.895716D+01 -0.113253D+01  0.250281D+02 -0.417221D+01  0.117366D+02
      2   0.938628D+01  0.275129D+01  0.256106D+01  0.158457D+01  0.768190D+00
      3  -0.429118D+00 -0.161876D+01 -0.275891D+02  0.258763D+01 -0.125047D+02
      4   0.187440D+01  0.657585D+01  0.626338D+01  0.555425D+01  0.242564D+01
      5   0.403213D+01  0.211461D+01  0.140606D+02  0.684484D+00 -0.888658D+01
      6   0.337097D+01  0.994260D+01  0.394138D+00  0.501733D+01  0.519744D+01
                46            47            48            49            50 
      1  -0.244678D+01 -0.231201D+01  0.248502D+02  0.546840D+01 -0.114695D+02
      2   0.618879D+01 -0.195079D+00 -0.906790D+01 -0.259350D+01  0.106154D+02
      3  -0.374201D+01  0.250708D+01 -0.157823D+02 -0.287489D+01  0.854138D+00
      4   0.319607D+01  0.101685D+01 -0.195809D+01  0.369864D+01  0.136001D+00
      5   0.234786D+02 -0.162184D+01 -0.663319D+01 -0.592909D+01 -0.364677D+01
      6  -0.462305D+01 -0.352089D+01 -0.312325D+00 -0.335432D+01  0.741123D+01
                51            52            53            54            55 
      1  -0.121273D+02 -0.280036D+02 -0.478598D+01  0.108420D+02 -0.327296D+02
      2   0.875820D+01  0.344572D+01  0.493324D+01  0.642428D+01  0.156215D+02
      3   0.336914D+01  0.245579D+02 -0.147264D+00 -0.172663D+02  0.171081D+02
      4  -0.504346D+01  0.450149D+01 -0.388479D+01 -0.148950D+00 -0.105489D+01
      5   0.264848D+00  0.114834D+02  0.150733D+00  0.864562D+01  0.155832D+01
      6   0.138679D+02 -0.209547D+01  0.662981D+01  0.286586D+01 -0.518587D+01
                56            57            58            59            60 
      1  -0.922876D+01 -0.228358D+01 -0.469206D+02 -0.277332D+02  0.878980D+01
      2   0.548429D+01  0.141613D+01  0.258738D+02  0.124402D+02 -0.612656D+01
      3   0.374446D+01  0.867453D+00  0.210468D+02  0.152929D+02 -0.266323D+01
      4  -0.199645D+02  0.208553D+01 -0.476149D+02  0.583822D+01  0.110896D+02
      5   0.283348D+01 -0.155674D+02  0.671720D+01  0.117212D+02  0.223267D+02
      6  -0.112622D+01  0.494439D+01  0.293177D+01 -0.682272D+01 -0.101011D+02
                61            62            63            64            65 
      1   0.770770D+01  0.830660D+01 -0.122101D+02 -0.434383D+02  0.110191D+02
      2  -0.529984D+00 -0.439363D+01  0.334002D+01  0.284988D+02 -0.529810D+01
      3  -0.717771D+01 -0.391297D+01  0.887010D+01  0.149395D+02 -0.572104D+01
      4   0.270536D+01  0.137363D+02  0.331595D+02  0.135229D+02  0.264129D+02
      5  -0.309244D+02  0.295686D+02 -0.923195D+01  0.285153D+02 -0.590901D+01
      6   0.140164D+02 -0.114399D+02 -0.694452D+00  0.576701D+01  0.213754D+00
                66            67            68            69            70 
      1   0.297991D+02  0.511981D+02  0.443099D+02 -0.108542D+02  0.293824D+02
      2  -0.147884D+02 -0.211959D+02 -0.193134D+02  0.273550D+01 -0.147261D+02
      3  -0.150106D+02 -0.300022D+02 -0.249964D+02  0.811865D+01 -0.146563D+02
      4  -0.394916D+01  0.469229D+02  0.601112D+01 -0.150501D+02 -0.808249D+01
      5   0.159182D+02 -0.174027D+02 -0.172787D+02 -0.286973D+02  0.298369D+02
      6   0.642942D+01 -0.340253D+01 -0.259690D+01 -0.685332D+01  0.103680D+01
                71            72            73            74            75 
      1  -0.679250D+01  0.380122D+02  0.537220D+02 -0.130591D+02 -0.313948D+02
      2  -0.408908D+01 -0.193093D+02 -0.313988D+02  0.388441D+01  0.148004D+02
      3   0.108816D+02 -0.187029D+02 -0.223232D+02  0.917471D+01  0.165944D+02
      4  -0.169899D+02 -0.269799D+02 -0.181048D+02 -0.368506D+02  0.131516D+02
      5  -0.291209D+02  0.197828D+02 -0.285780D+02  0.145984D+02 -0.242651D+02
      6  -0.541986D+01  0.685484D+01  0.229789D+01  0.652576D+01 -0.894269D+00
                76            77            78            79            80 
      1  -0.264434D+02 -0.457291D+02  0.202292D+02 -0.336224D+02  0.174944D+02
      2   0.673731D+01  0.233971D+02 -0.192038D+01  0.150609D+02 -0.103857D+01
      3   0.197061D+02  0.223320D+02 -0.183088D+02  0.185615D+02 -0.164558D+02
      4  -0.590304D+02 -0.245355D+02  0.322699D+02  0.156004D+02  0.277619D+02
      5   0.204603D+02  0.352161D+02  0.387726D+02 -0.413749D+02  0.394766D+02
      6   0.111042D+02  0.484285D+01 -0.623203D+01  0.565840D+00 -0.566471D+01
                81            82            83            84            85 
      1  -0.383630D+02  0.507718D+02 -0.892392D+01 -0.131159D+02 -0.134169D+02
      2   0.235321D+02 -0.332459D+02 -0.799894D+01  0.159910D+02 -0.106407D+02
      3   0.148309D+02 -0.175259D+02  0.169229D+02 -0.287505D+01  0.240575D+02
      4   0.380775D+02 -0.516651D+01 -0.285740D+02  0.186616D+01 -0.362691D+02
      5  -0.111716D+01 -0.103588D+02  0.444618D+01 -0.175734D+02  0.788305D+01
      6  -0.619149D+01 -0.539544D+01 -0.623610D-01 -0.553279D+01  0.947931D+00
                86            87            88            89            90 
      1  -0.241269D+02 -0.190153D+01 -0.137063D+02 -0.238600D+01 -0.240523D+02
      2  -0.684408D+01 -0.126242D+00  0.176311D+02  0.504721D+01  0.281682D+02
      3   0.309710D+02  0.202777D+01 -0.392483D+01 -0.266121D+01 -0.411588D+01
      4  -0.362651D+02  0.154591D+02  0.361051D+01  0.253576D+02  0.149368D+02
      5   0.125929D+02  0.255714D+02 -0.246732D+02  0.218056D+02 -0.280977D+02
      6   0.675235D+01  0.108181D+02 -0.363040D+01  0.930525D+01 -0.240416D+01
                91            92            93            94            95 
      1   0.116374D+02 -0.402660D+01  0.279900D+00 -0.150459D+02 -0.199844D+02
      2  -0.110744D+02 -0.397926D+01 -0.297134D+01  0.294703D+01  0.367736D+01
      3  -0.562999D+00  0.800586D+01  0.269144D+01  0.120989D+02  0.163070D+02
      4  -0.210554D+02 -0.204498D+02 -0.583564D+01 -0.479741D+02  0.603010D+01
      5  -0.158862D+01 -0.485838D+01 -0.683633D+01 -0.487572D+01 -0.115880D+02
      6  -0.245538D+01 -0.115874D+01 -0.321273D+01 -0.420163D+01 -0.282498D+01
                96            97            98            99           100 
      1  -0.194441D+01 -0.115423D+02 -0.362122D+01 -0.172444D+01 -0.354532D+01
      2   0.137829D+01 -0.477413D+01 -0.401182D+00  0.114235D+02  0.354109D+01
      3   0.566116D+00  0.163165D+02  0.402240D+01 -0.969904D+01  0.423451D-02
      4  -0.118719D+02 -0.104497D+02 -0.233125D+02  0.251722D+00  0.770089D+01
      5  -0.506866D+00 -0.104727D+02  0.148539D+01  0.361135D+02 -0.193740D+02
      6   0.576743D+00 -0.226525D+01  0.234153D+01  0.295635D+01  0.548194D+01
               101           102           103           104           105 
      1   0.296168D+01 -0.932090D+01  0.116294D+02  0.802217D+01  0.474504D+01
      2  -0.955907D+00  0.928095D+01 -0.918538D+01 -0.383310D+01 -0.869831D+01
      3  -0.200577D+01  0.399470D-01 -0.244401D+01 -0.418907D+01  0.395327D+01
      4   0.276610D+01  0.561228D+01  0.494818D+01 -0.163862D+02  0.139275D+02
      5   0.506030D+01 -0.682145D+01  0.455417D+00  0.135521D+02  0.127868D+02
      6  -0.400749D+01  0.594153D+01  0.474933D+01 -0.123595D+02 -0.868774D+01
               106           107           108           109           110 
      1  -0.268135D+02  0.572974D+01 -0.892703D+01  0.393691D+02 -0.549077D+01
      2   0.186574D+02 -0.480641D+01  0.116317D+02 -0.256578D+02  0.149941D+01
      3   0.815611D+01 -0.923331D+00 -0.270465D+01 -0.137113D+02  0.399136D+01
      4   0.131280D+02 -0.174352D+01  0.146947D+02 -0.139146D+02  0.148487D+02
      5  -0.268376D+02  0.128558D+02 -0.405046D+02  0.369494D+02 -0.453638D+01
      6   0.108687D+02 -0.150403D+02  0.139945D+02 -0.998426D+01  0.308006D+01
               111           112           113           114           115 
      1   0.266416D+02 -0.347860D+01  0.179431D+01  0.118436D+01  0.421236D+02
      2  -0.191912D+02 -0.691917D+00  0.178928D+01 -0.183543D-01 -0.268272D+02
      3  -0.745040D+01  0.417052D+01 -0.358360D+01 -0.116600D+01 -0.152964D+02
      4  -0.842967D+01  0.154346D+02 -0.613271D+01  0.129293D+02 -0.191395D+02
      5   0.270116D+02 -0.657221D+01  0.128728D+02 -0.103567D+02  0.458924D+02
      6  -0.620308D+01  0.479473D+01 -0.649836D+01  0.131309D+02 -0.119539D+02
               116           117           118           119           120 
      1  -0.115552D+01  0.987462D+01  0.846951D+00 -0.123229D+02 -0.965602D+01
      2  -0.291596D+01 -0.306085D+02 -0.120146D+01  0.151556D+02  0.414129D+01
      3   0.407148D+01  0.207339D+02  0.354514D+00 -0.283269D+01  0.551473D+01
      4   0.275832D+02 -0.136555D+02 -0.168411D+01 -0.535913D+01  0.704287D+01
      5  -0.123297D+02  0.747308D+02 -0.879984D+01  0.234116D+01  0.441819D+01
      6   0.147123D+02 -0.280155D+02  0.499924D+01 -0.316813D+00 -0.359031D+00
               121           122           123           124           125 
      1  -0.783008D+01 -0.895183D+01 -0.511881D+01 -0.118248D+02 -0.728817D+01
      2   0.131673D+02 -0.402571D+01  0.113498D+02 -0.103257D+00  0.214092D+02
      3  -0.533725D+01  0.129775D+02 -0.623096D+01  0.119281D+02 -0.141210D+02
      4  -0.429152D+01  0.285283D+02 -0.204353D+02  0.197610D+02 -0.383075D+02
      5   0.803400D+01 -0.205061D+02 -0.617974D+01  0.109180D+02 -0.144411D+02
      6  -0.519443D+01  0.199079D+02  0.105259D+02 -0.433445D+01  0.159910D+02
               126           127           128           129           130 
      1  -0.469633D+01  0.762666D+00  0.168690D+01 -0.359168D+01 -0.874585D+00
      2  -0.105997D+01 -0.647765D+01 -0.644963D+00 -0.600142D+01  0.160969D+01
      3   0.575630D+01  0.571499D+01 -0.104193D+01  0.959310D+01 -0.735107D+00
      4  -0.123723D+02 -0.562590D+01  0.422795D+01 -0.521182D+01  0.122160D+01
      5  -0.230417D+02  0.168879D+02 -0.290917D+01  0.170955D+02 -0.270370D+01
      6   0.174368D+02 -0.627956D+01  0.383985D+01 -0.695401D+01  0.174807D+01
               131           132           133           134           135 
      1  -0.118371D+01  0.141360D+01 -0.502950D+01  0.412885D+01 -0.201589D+02
      2  -0.408619D+00  0.126419D+01 -0.733372D+01 -0.516051D+00 -0.118611D+02
      3   0.159233D+01 -0.267779D+01  0.123632D+02 -0.361279D+01  0.320200D+02
      4  -0.142195D+01  0.213162D+01 -0.458375D+01  0.406223D+01 -0.651039D+01
      5   0.214933D+01 -0.346300D+01  0.176183D+02 -0.357586D+01  0.256241D+02
      6  -0.106702D+01  0.289041D+01 -0.699268D+01  0.743480D+01 -0.141755D+02
               136           137           138           139           140 
      1  -0.259234D+01 -0.164646D+00  0.595470D+01 -0.454517D+00 -0.115287D+01
      2  -0.564605D+01  0.331543D-01  0.622450D+01 -0.128932D-01 -0.514428D+00
      3   0.823839D+01  0.131492D+00 -0.121792D+02  0.467410D+00  0.166730D+01
      4   0.265809D+01  0.221101D+01 -0.262224D+01  0.316261D+00 -0.194358D+00
      5  -0.114810D+02 -0.664596D+00  0.146831D+02  0.332652D-01 -0.116632D+01
      6  -0.283906D+01 -0.200883D+01  0.309702D+01 -0.336269D+00 -0.224236D+00
               141           142           143           144           145 
      1   0.757913D+00  0.801898D+01  0.267781D+01 -0.312395D+02  0.440370D+01
      2   0.503614D+00  0.643258D+01 -0.635733D+00 -0.162274D+02 -0.551987D+01
      3  -0.126153D+01 -0.144516D+02 -0.204207D+01  0.474669D+02  0.111617D+01
      4  -0.796855D+00 -0.290494D+01 -0.280837D+01  0.404597D+01 -0.105849D+00
      5  -0.210872D+00  0.138809D+02  0.145035D+01 -0.227882D+02  0.115365D+02
      6   0.192596D+01  0.443560D+01  0.689624D+01 -0.119511D+02  0.125434D+01
               146           147           148           149           150 
      1  -0.963663D+00 -0.144919D+01 -0.136036D+01 -0.196946D+00  0.130253D+01
      2   0.717016D+00 -0.413501D+01  0.693381D+00 -0.634559D+00  0.603619D+00
      3   0.246648D+00  0.558420D+01  0.666984D+00  0.831505D+00 -0.190615D+01
      4   0.318121D+01  0.716951D+00  0.170027D+01 -0.125159D+01  0.652357D+00
      5  -0.117356D+01  0.102216D+02 -0.133707D+01  0.206153D+01 -0.193229D+01
      6   0.154284D+01  0.132680D+01  0.388607D+00 -0.781681D+00  0.821297D+00
               151           152           153           154           155 
      1  -0.417333D+01  0.963423D+00 -0.150442D+02  0.441718D+00  0.124425D+01
      2  -0.523288D+01  0.818264D+00 -0.908381D+01 -0.522707D+01 -0.935297D+00
      3   0.940621D+01 -0.178169D+01  0.241280D+02  0.478535D+01 -0.308949D+00
      4   0.143630D+01  0.261696D+01  0.126810D+01 -0.168445D+01  0.218350D+01
      5   0.125074D+02 -0.922276D+00  0.174135D+02 -0.973355D+01  0.431050D+00
      6   0.223336D+01  0.411085D+01  0.370582D+01  0.330867D+01 -0.178133D+01
               156           157           158           159           160 
      1   0.307516D+01 -0.102951D+01 -0.121580D+01  0.140371D+01  0.372531D+01
      2   0.510550D+01  0.554178D+00 -0.419285D+00 -0.151375D+00  0.666142D+01
      3  -0.818065D+01  0.475333D+00  0.163509D+01 -0.125234D+01 -0.103867D+02
      4   0.221481D+01  0.110060D+01 -0.511932D+00 -0.102162D+01  0.156215D+01
      5   0.124447D+02  0.481394D+00 -0.176566D+01 -0.618571D+00  0.131833D+02
      6  -0.425362D+01 -0.117028D+01 -0.628256D-01  0.136589D+01 -0.385247D+01
               161           162           163           164           165 
      1  -0.154126D+01 -0.238271D+02  0.117311D+02 -0.522992D+01 -0.640269D+01
      2   0.955945D+00 -0.131001D+02 -0.417547D+01  0.846038D+00  0.261556D+01
      3   0.585315D+00  0.369271D+02 -0.755565D+01  0.438389D+01  0.378712D+01
      4  -0.264164D+01 -0.283132D+01 -0.121333D+02  0.151118D+02  0.639556D+01
      5  -0.355706D+00 -0.207531D+02 -0.109823D+02  0.498825D+01  0.871581D+01
      6   0.571416D+01  0.102152D+02  0.512786D+01 -0.228803D+01 -0.267412D+01
               166           167           168           169           170 
      1  -0.373618D+01 -0.325015D+01 -0.330545D+01 -0.211796D+02 -0.535736D+01
      2  -0.222900D+01  0.123207D+02  0.548410D+01  0.917825D+01  0.652546D+01
      3   0.596518D+01 -0.907058D+01 -0.217865D+01  0.120013D+02 -0.116809D+01
      4   0.227520D+02 -0.302777D+02 -0.166475D+02  0.149575D+02 -0.242366D+02
      5   0.800313D+01 -0.151543D+02 -0.127584D+02  0.197262D+02 -0.177553D+02
      6  -0.576708D+01  0.122202D+02  0.103958D+02 -0.939842D+01  0.124195D+02
               171           172           173           174           175 
      1   0.274504D+00  0.173658D+02 -0.395686D+01  0.879082D+01  0.243773D+00
      2  -0.105595D+01 -0.864338D+01 -0.460640D-01 -0.446509D+01 -0.246487D+01
      3   0.781450D+00 -0.872244D+01  0.400292D+01 -0.432572D+01  0.222110D+01
      4  -0.206295D+02 -0.117034D+02  0.146456D+02 -0.851092D+01  0.139914D+02
      5  -0.203378D+02  0.151230D+02 -0.690220D+01  0.133981D+02 -0.555887D+01
      6   0.119795D+02 -0.502257D+01  0.258576D+01 -0.352139D+01  0.372086D+01
               176           177           178           179           180 
      1   0.150680D+01  0.775254D+00  0.202056D+02  0.398282D+00  0.203870D+01
      2   0.335417D+01 -0.219262D+01 -0.100985D+02 -0.261936D+01 -0.347225D+01
      3  -0.486097D+01  0.141737D+01 -0.101071D+02  0.222107D+01  0.143354D+01
      4  -0.148662D+02  0.863031D+01 -0.137262D+02  0.168275D+02 -0.179834D+02
      5   0.816749D+01 -0.872100D+01  0.183554D+02 -0.158288D+02  0.269746D+02
      6  -0.539192D+01  0.760752D+01 -0.673713D+01  0.907725D+01 -0.102682D+02
               181           182           183           184           185 
      1  -0.107498D+02  0.326496D+01 -0.154846D+02  0.147330D+01 -0.153114D+02
      2   0.298090D+01 -0.172155D+01  0.526271D+01 -0.142825D+01  0.897318D+01
      3   0.776886D+01 -0.154342D+01  0.102219D+02 -0.450573D-01  0.633825D+01
      4  -0.215537D+01 -0.530006D+01  0.846976D+00 -0.274204D+01  0.703244D+01
      5  -0.817913D+01  0.133750D+01 -0.527768D+01  0.693551D+00 -0.513800D+01
      6  -0.454045D+01  0.181602D+01 -0.475465D+01  0.184295D+01 -0.560631D+01
               186           187           188           189           190 
      1   0.781175D+01 -0.255384D+02  0.790782D+01 -0.246810D+02  0.109304D+02
      2  -0.369600D+01  0.104378D+02 -0.172830D+01  0.148773D+00 -0.759582D+01
      3  -0.411575D+01  0.151006D+02 -0.617951D+01  0.245323D+02 -0.333457D+01
      4  -0.495124D+01 -0.123968D+00 -0.755792D+01  0.100080D+02 -0.914741D+01
      5   0.128574D+02 -0.185660D+01  0.114856D+02 -0.318474D+02 -0.119994D+02
      6   0.989261D+01 -0.271864D+01  0.791480D+01 -0.133844D+02  0.263191D+01
               191           192           193           194           195 
      1  -0.934228D+01 -0.100999D+02 -0.240013D+02  0.123371D+02  0.666614D+01
      2   0.566870D+01  0.682940D+01  0.150593D+02 -0.741646D+01 -0.947440D+01
      3   0.367358D+01  0.327054D+01  0.894200D+01 -0.492064D+01  0.280827D+01
      4   0.108571D+02  0.569575D+01  0.223166D+02 -0.298054D+02 -0.258660D+02
      5   0.665496D+01  0.153379D+02  0.171114D+02 -0.267770D+02 -0.332547D+02
      6  -0.181711D+01 -0.119143D+01 -0.446466D+01  0.814574D+01  0.819877D+01
               196           197           198           199           200 
      1  -0.250791D+02  0.417220D+01  0.148063D+02  0.459780D+02 -0.107957D+02
      2   0.182690D+02 -0.750466D+01 -0.217746D+02 -0.227171D+02  0.524351D+01
      3   0.681004D+01  0.333247D+01  0.696827D+01 -0.232609D+02  0.555216D+01
      4   0.113805D+02 -0.280075D+02 -0.270030D+02 -0.966772D+01  0.143372D+02
      5   0.331414D+02 -0.283275D+02 -0.511295D+02  0.218252D+02 -0.758732D+01
      6  -0.276632D+01  0.858669D+01  0.769204D+01 -0.627027D+00 -0.773626D+00
               201           202           203           204           205 
      1   0.238260D+02 -0.216202D+02  0.163922D+02 -0.101019D+02  0.568064D+02
      2  -0.109343D+02  0.106919D+02 -0.680530D+01  0.346395D+01 -0.288441D+02
      3  -0.128916D+02  0.109283D+02 -0.958689D+01  0.663792D+01 -0.279623D+02
      4  -0.754974D+01  0.203419D+02 -0.123529D+02  0.720634D+01 -0.122487D+02
      5   0.219025D+02 -0.999146D+01  0.688331D+01 -0.167320D+02  0.326668D+02
      6   0.315906D+00 -0.196260D+00 -0.141917D+01  0.279937D+01 -0.103862D+00
               206           207           208           209           210 
      1  -0.124849D+02  0.281824D+02  0.484366D+02  0.273838D+02 -0.870581D+01
      2   0.507143D+01 -0.164718D+02 -0.212525D+02 -0.113296D+02  0.515140D+01
      3   0.741346D+01 -0.117105D+02 -0.271841D+02 -0.160542D+02  0.355441D+01
      4   0.152348D+02 -0.149097D+02  0.341949D+02  0.320763D+02 -0.100413D+02
      5  -0.153955D+02  0.419071D+02 -0.146346D+02 -0.113934D+02  0.142930D+02
      6   0.245790D+01  0.298019D+00 -0.605693D+01 -0.497703D+01  0.302044D+01
               211           212           213           214           215 
      1   0.586861D+02  0.317602D+02 -0.126292D+02 -0.112651D+02 -0.756052D+01
      2  -0.238587D+02 -0.596816D+01  0.640435D+01  0.701509D+01  0.338917D+01
      3  -0.348274D+02 -0.257920D+02  0.622485D+01  0.425002D+01  0.417134D+01
      4   0.537562D+02  0.621957D+02 -0.184144D+02 -0.123146D+02 -0.152330D+02
      5  -0.224693D+02 -0.195034D+02  0.162678D+02  0.214702D+02  0.901537D+01
      6  -0.968185D+01 -0.117304D+02  0.814219D+01  0.487260D+01  0.716267D+01
               216           217           218           219           220 
      1   0.127619D+02  0.112708D+02 -0.154185D+01  0.115948D+02 -0.724003D+01
      2  -0.789975D+01 -0.969925D+01  0.392476D+01 -0.127133D+02  0.716663D+01
      3  -0.486211D+01 -0.157158D+01 -0.238292D+01  0.111849D+01  0.734085D-01
      4   0.848268D+01  0.298899D+01  0.890093D+01  0.297712D+01  0.503181D+01
      5  -0.132109D+02  0.186113D+02  0.196365D-01  0.237954D+02 -0.700094D+01
      6  -0.405211D+01  0.350437D+01  0.213552D+01  0.515222D+01  0.617982D+00
               221           222           223           224           225 
      1   0.341215D+01 -0.268591D+01  0.153854D+02 -0.242630D+01  0.373621D+01
      2  -0.214692D+01  0.690112D+01 -0.156379D+02  0.532486D+01 -0.239562D+02
      3  -0.126523D+01 -0.421521D+01  0.252568D+00 -0.289855D+01  0.202200D+02
      4  -0.169475D+01  0.378462D+01  0.480903D+01  0.795843D+01  0.204513D+01
      5   0.547499D+01 -0.158592D+02  0.242695D+02 -0.160139D+01  0.523542D+02
      6  -0.177596D+01  0.223512D+00  0.550958D+01  0.440084D+01  0.135651D+02
               226           227           228           229           230 
      1  -0.540650D+02  0.134525D+02  0.119847D+02  0.759610D+01 -0.101209D+02
      2   0.300253D+02 -0.121766D+02 -0.665157D+01 -0.567157D+01  0.101216D+02
      3   0.240396D+02 -0.127591D+01 -0.533312D+01 -0.192452D+01 -0.685759D-03
      4  -0.144501D+02 -0.397862D+01 -0.142719D+01  0.217248D+01  0.357268D+01
      5  -0.110782D+01 -0.378805D+01 -0.346012D+01 -0.101073D+01 -0.539222D+00
      6   0.321506D+01 -0.516280D+01 -0.504829D+01 -0.347884D+01  0.186448D+01
               231           232           233           234           235 
      1  -0.378015D+01  0.979347D+01 -0.257752D+01 -0.592712D+01  0.128071D+02
      2   0.234053D+01 -0.524683D+01  0.105456D+01  0.275456D+00  0.265168D+01
      3   0.143962D+01 -0.454664D+01  0.152296D+01  0.565167D+01 -0.154587D+02
      4  -0.107211D+01  0.141898D+01 -0.232236D+01 -0.121895D+01  0.265119D+02
      5  -0.205228D+01  0.211839D+01 -0.367746D+00  0.503561D+01  0.203849D+01
      6   0.166454D+01 -0.335258D+01  0.265649D+01  0.314530D+01  0.163687D+01
               236           237           238           239           240 
      1   0.114529D+02 -0.592244D+00  0.132923D+02 -0.197223D+01 -0.106338D+01
      2   0.753183D+01 -0.138608D+01  0.886017D+01  0.382639D+02 -0.116890D+01
      3  -0.189847D+02  0.197833D+01 -0.221524D+02 -0.362917D+02  0.223228D+01
      4   0.334773D+02  0.110811D+00  0.388513D+02  0.697886D+02 -0.120029D+01
      5   0.221450D+01  0.794509D+01  0.206559D+01  0.187474D+01  0.691296D+01
      6   0.224102D+01  0.378842D+01  0.185098D+01  0.488730D+01  0.692531D+01
               241           242           243           244           245 
      1  -0.499890D+01 -0.449688D+00  0.286581D+01  0.199540D+01  0.115855D+01
      2  -0.103315D+01 -0.615738D+01 -0.177787D-01 -0.586077D+01  0.996122D-01
      3   0.603205D+01  0.660707D+01 -0.284803D+01  0.386537D+01 -0.125816D+01
      4  -0.742089D+01 -0.139051D+02  0.672792D+01  0.248467D+01  0.539167D+01
      5   0.746899D+01  0.514324D+01 -0.102715D+01 -0.138732D+02  0.736505D+00
      6   0.378746D+01  0.606072D+01 -0.210041D+01 -0.104557D+01 -0.162331D+00
               246           247           248           249           250 
      1  -0.796912D+01  0.124355D+01  0.139378D+01  0.224389D+00 -0.104394D+02
      2   0.665755D+01  0.354283D+00 -0.143728D+01 -0.129166D+01  0.106285D+02
      3   0.131157D+01 -0.159784D+01  0.434964D-01  0.106727D+01 -0.189048D+00
      4  -0.320192D+00  0.857199D+01 -0.108364D+01 -0.451618D+01 -0.179575D+01
      5   0.132689D+02  0.692683D+00 -0.501434D+01 -0.184205D+00  0.191760D+02
      6   0.101477D+01 -0.129982D+01 -0.528394D+00  0.514216D+01  0.916805D+00
               251           252           253           254           255 
      1   0.549869D+00 -0.410671D+01 -0.846632D+02 -0.921119D+01  0.833218D+01
      2  -0.845918D+00 -0.171091D+02  0.469367D+02  0.148025D+02 -0.590967D+01
      3   0.296050D+00  0.212158D+02  0.377265D+02 -0.559126D+01 -0.242251D+01
      4  -0.830929D+01  0.135500D+01 -0.149327D+02  0.279268D+02  0.361512D+01
      5   0.231791D-02 -0.448454D+02  0.120510D+02  0.858731D+00  0.982606D+01
      6   0.394189D+01 -0.425657D+01  0.654941D+01  0.395332D+00  0.531466D+01
               256           257           258           259           260 
      1   0.174590D+02  0.339246D+02 -0.524880D+01  0.195195D+02 -0.495764D+01
      2   0.337325D+01 -0.250813D+02  0.113772D+02 -0.551660D+01  0.153574D+02
      3  -0.208322D+02 -0.884327D+01 -0.612840D+01 -0.140029D+02 -0.103998D+02
      4   0.416524D+02  0.185394D+01  0.182005D+02  0.127327D+02  0.249145D+02
      5   0.502975D+01  0.199279D+02 -0.431848D+01  0.116172D+02 -0.776793D+01
      6   0.423273D+01  0.141956D+02 -0.166042D+01  0.505851D+01 -0.365789D+01
               261           262           263           264           265 
      1   0.173569D+02  0.463109D+01 -0.744122D+01  0.612537D+00 -0.401211D+01
      2  -0.638592D+01  0.423460D+01 -0.401935D+01  0.258573D+00 -0.882156D+01
      3  -0.109710D+02 -0.886568D+01  0.114606D+02 -0.871110D+00  0.128337D+02
      4  -0.292469D+01 -0.148239D+02  0.217271D+02 -0.128333D+01  0.251333D+02
      5  -0.292325D+02 -0.556170D+00 -0.405216D-01  0.248955D+01 -0.262021D+00
      6  -0.140276D+02 -0.386273D+00  0.260289D+00 -0.793020D+00  0.620737D+00
               266           267           268           269           270 
      1  -0.115084D+02 -0.609865D-01  0.188667D+01  0.292857D+01 -0.146756D+01
      2   0.419478D+02 -0.237763D+01  0.406548D+01 -0.156901D+02  0.457647D+01
      3  -0.304394D+02  0.243862D+01 -0.595215D+01  0.127615D+02 -0.310891D+01
      4  -0.636816D+02  0.261144D+01 -0.112511D+02  0.268742D+02 -0.770089D+01
      5   0.620295D+00 -0.792461D+01  0.339744D+01 -0.688763D+01  0.263233D+01
      6  -0.121772D+01  0.564571D+01 -0.289085D+01  0.815744D+01 -0.292323D+01
               271           272           273           274           275 
      1   0.515729D+01  0.278301D+01  0.559407D+01 -0.179082D+01 -0.683083D+01
      2  -0.492643D+01 -0.320504D+01 -0.216605D+01  0.687180D-02  0.533119D+01
      3  -0.230861D+00  0.422034D+00 -0.342802D+01  0.178395D+01  0.149964D+01
      4   0.571590D+00 -0.327568D+01  0.847587D+00 -0.130555D+01  0.238684D+01
      5   0.327073D+01 -0.595265D+00 -0.385765D+00  0.563383D+00  0.343043D+01
      6   0.165676D+01 -0.114274D+01 -0.163481D+01  0.699163D-01  0.230954D+01
               276           277           278           279           280 
      1  -0.221791D+01  0.125303D+02 -0.313704D+01 -0.124954D+02  0.129438D+03
      2   0.135467D+01 -0.594129D+01  0.373851D+01 -0.306830D+01 -0.611382D+02
      3   0.863248D+00 -0.658897D+01 -0.601468D+00  0.155637D+02 -0.683002D+02
      4   0.332221D+01  0.937133D+01  0.127581D+02  0.860625D+01  0.488465D+02
      5   0.533396D+01  0.760727D+01  0.994488D+01  0.411023D+02 -0.499222D+01
      6   0.634502D+01  0.208342D+01  0.923329D+01  0.227092D+02 -0.225502D+01
               281           282           283           284           285 
      1   0.122813D+02 -0.521234D+01 -0.712955D+01  0.658711D+01  0.693395D+00
      2  -0.114970D+01  0.284487D+01  0.632845D+01 -0.100203D+01 -0.151030D+01
      3  -0.111316D+02  0.236747D+01  0.801103D+00 -0.558508D+01  0.816902D+00
      4   0.208914D+02 -0.973401D+00  0.105724D+02  0.366014D+01 -0.226140D+01
      5  -0.117835D+00  0.131165D+02 -0.142786D+00 -0.252840D+01 -0.552428D-01
      6   0.291590D+00  0.390478D+01 -0.138313D+00 -0.106914D+01  0.821198D+00
               286           287           288           289           290 
      1  -0.132899D+02 -0.821548D+00  0.896494D+01  0.790026D+00  0.130782D+02
      2   0.647780D+01 -0.145810D+01 -0.560976D+01  0.186491D+01 -0.141155D+02
      3   0.681215D+01  0.227965D+01 -0.335518D+01 -0.265493D+01  0.103737D+01
      4  -0.628841D+01 -0.505437D+01  0.437599D+01  0.283168D+01 -0.819822D+01
      5   0.148445D+02  0.261568D+01 -0.755165D+00 -0.301635D+01  0.154562D+01
      6   0.384570D+01  0.200681D+01  0.457354D+00 -0.236904D+01  0.198862D+01
               291           292           293           294           295 
      1  -0.476883D+01  0.978540D+01 -0.295599D+02  0.670997D+01 -0.818647D+01
      2   0.360623D+01 -0.479090D+01  0.466893D+02 -0.971259D+01  0.290702D+01
      3   0.116260D+01 -0.499450D+01 -0.171294D+02  0.300261D+01  0.527946D+01
      4  -0.349276D+00  0.781051D+01  0.437007D+02 -0.103582D+02 -0.661296D+01
      5  -0.274341D+01 -0.556236D+00 -0.126628D+02  0.950023D+01  0.128505D+01
      6  -0.299331D+01 -0.382930D+00 -0.102800D+02  0.888008D+01  0.176940D-01
               296           297 
      1   0.907638D+01 -0.826511D+01
      2  -0.144129D+02  0.714753D+01
      3   0.533647D+01  0.111758D+01
      4  -0.196544D+02  0.842265D+01
      5   0.104229D+02 -0.539002D+01
      6   0.102778D+02 -0.599643D+01
 Leave Link  716 at Wed Sep  8 17:00:52 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.219930D+03 -0.711690D+00  0.587698D+00
      2  -0.711690D+00  0.135570D+03 -0.129024D-01
      3   0.587698D+00 -0.129024D-01  0.154596D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.705835D+01 -0.182439D+01  0.238340D+02
      2  -0.444205D+02  0.472716D+01  0.437695D+02
      3  -0.995185D+02 -0.348805D+02 -0.178797D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.243047D+03  0.379789D+02 -0.765062D+02
      2  -0.131685D+03 -0.940797D+01  0.337064D+02
      3  -0.111361D+03 -0.285709D+02  0.427997D+02
      4  -0.437569D+02  0.639189D+02  0.104246D+02
      5  -0.475221D+02  0.692730D+01  0.941261D+02
      6   0.683529D+01  0.122260D+02 -0.521514D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.109166D+02  0.644238D+00  0.169091D+00  0.151333D+01  0.207596D+01
      2   0.644238D+00  0.170520D+01 -0.154830D+00  0.207596D+01 -0.174428D+01
      3   0.169091D+00 -0.154830D+00  0.377572D+01  0.758674D+00  0.347626D+01
                 6             7             8             9            10 
      1   0.758674D+00  0.139454D+02  0.612754D+00 -0.128166D+01  0.300075D+02
      2   0.347626D+01  0.612754D+00  0.153525D+01  0.361432D+00  0.109864D+01
      3  -0.400045D+00 -0.128166D+01  0.361432D+00  0.288244D+00 -0.148315D+01
                11            12            13            14            15 
      1   0.109864D+01 -0.148315D+01 -0.169695D+01  0.490720D+01  0.486163D+00
      2   0.157878D+01 -0.258468D+00  0.490720D+01 -0.101663D+01 -0.224197D+00
      3  -0.258468D+00  0.335381D+01  0.486163D+00 -0.224197D+00 -0.832251D+00
                16            17            18            19            20 
      1  -0.344854D+01  0.430114D+00  0.656321D+00  0.131209D+02 -0.571883D+00
      2   0.430114D+00 -0.396391D+00 -0.690812D+00 -0.571883D+00 -0.176833D+01
      3   0.656321D+00 -0.690812D+00  0.922311D+00 -0.242964D+00  0.120453D+01
                21            22            23            24            25 
      1  -0.242964D+00 -0.793930D+00 -0.193243D+01  0.558884D+00  0.121796D+02
      2   0.120453D+01 -0.193243D+01 -0.479753D+00  0.359762D+01 -0.897467D+00
      3  -0.300515D+01  0.558884D+00  0.359762D+01  0.499351D+00  0.116104D+01
                26            27            28            29            30 
      1  -0.897467D+00  0.116104D+01 -0.276074D+02 -0.268803D+00  0.453509D+00
      2   0.219396D+01  0.224136D+00 -0.268803D+00 -0.153217D+01 -0.571790D-01
      3   0.224136D+00  0.100539D+01  0.453509D+00 -0.571790D-01 -0.279104D+01
                31            32            33            34            35 
      1   0.274561D+01 -0.519490D+01 -0.791829D-01  0.134738D+01 -0.186639D+00
      2  -0.519490D+01  0.609035D+00 -0.648890D-01 -0.186639D+00 -0.631757D+00
      3  -0.791829D-01 -0.648890D-01  0.239137D+00 -0.426170D+00 -0.448561D+00
                36            37            38            39            40 
      1  -0.426170D+00  0.873968D+01 -0.340495D+00 -0.433285D+00  0.367098D+00
      2  -0.448561D+00 -0.340495D+00 -0.167048D+01 -0.850814D+00 -0.161107D+01
      3   0.957925D+00 -0.433285D+00 -0.850814D+00 -0.296564D+01 -0.436911D+00
                41            42            43            44            45 
      1  -0.161107D+01 -0.436911D+00 -0.136989D+02  0.578369D+00  0.205460D+00
      2   0.741261D+00 -0.301799D+01  0.578369D+00 -0.154513D+01 -0.466448D-01
      3  -0.301799D+01  0.305443D-01  0.205460D+00 -0.466448D-01 -0.121649D+01
                46            47            48            49            50 
      1  -0.104825D+02  0.939102D-01  0.535286D+00  0.200154D+01  0.135265D+01
      2   0.939102D-01  0.143298D+01  0.800120D-01  0.135265D+01 -0.373534D+00
      3   0.535286D+00  0.800120D-01  0.165782D+01 -0.700317D+00 -0.348981D+01
                51            52            53            54            55 
      1  -0.700317D+00 -0.111188D+02 -0.348699D+00 -0.334546D+00 -0.137823D+02
      2  -0.348981D+01 -0.348699D+00 -0.181867D+01 -0.115575D-01 -0.209907D+01
      3  -0.751504D+00 -0.334546D+00 -0.115575D-01 -0.117839D+01  0.440815D+00
                56            57            58            59            60 
      1  -0.209907D+01  0.440815D+00 -0.766009D+01 -0.700431D+01  0.465732D+00
      2  -0.287974D+01  0.380467D+00 -0.700431D+01 -0.480738D-01  0.153469D+01
      3   0.380467D+00 -0.200738D+01  0.465732D+00  0.153469D+01  0.296663D+01
                61            62            63            64            65 
      1   0.440930D+01  0.639166D+00 -0.389581D+01 -0.737610D+00  0.249484D+01
      2   0.639166D+00  0.208101D+01  0.397367D+01  0.249484D+01  0.353699D+01
      3  -0.389581D+01  0.397367D+01 -0.101932D+01  0.276248D+01 -0.889618D+00
                66            67            68            69            70 
      1   0.276248D+01  0.118508D+02  0.660351D+01 -0.190860D+01  0.712955D+00
      2  -0.889618D+00  0.660351D+01  0.107004D+01 -0.197752D+01 -0.125157D+01
      3   0.246792D+01 -0.190860D+01 -0.197752D+01 -0.350103D+01  0.366583D+01
                71            72            73            74            75 
      1  -0.125157D+01  0.366583D+01  0.512017D+01 -0.148673D+01 -0.249672D+01
      2  -0.246844D+01 -0.385815D+01 -0.148673D+01 -0.330792D+01  0.119828D+01
      3  -0.385815D+01  0.296298D+01 -0.249672D+01  0.119828D+01 -0.225698D+01
                76            77            78            79            80 
      1  -0.373957D+01 -0.547938D+01  0.154672D+01 -0.237521D+01  0.127464D+01
      2  -0.547938D+01 -0.214200D+01  0.307388D+01  0.127464D+01  0.276147D+01
      3   0.154672D+01  0.307388D+01  0.353771D+01 -0.373969D+01  0.377310D+01
                81            82            83            84            85 
      1  -0.373969D+01  0.565827D+01 -0.242024D+01 -0.187343D+01 -0.377894D+01
      2   0.377310D+01 -0.242024D+01 -0.322144D+01  0.826018D+00 -0.408350D+01
      3  -0.114438D+00 -0.187343D+01  0.826018D+00 -0.212797D+01  0.137072D+01
                86            87            88            89            90 
      1  -0.408350D+01  0.137072D+01 -0.158537D+01  0.116586D+01 -0.264132D+01
      2  -0.370147D+01  0.209021D+01  0.116586D+01  0.330267D+01  0.274527D+01
      3   0.209021D+01  0.307854D+01 -0.264132D+01  0.274527D+01 -0.302260D+01
                91            92            93            94            95 
      1   0.407074D+01  0.251457D+01 -0.216357D+00  0.739174D+00  0.636083D+01
      2   0.251457D+01  0.254121D+01  0.805923D+00  0.636083D+01 -0.213166D+01
      3  -0.216357D+00  0.805923D+00  0.997597D+00  0.606243D+00  0.153910D+01
                96            97            98            99           100 
      1   0.606243D+00  0.361664D+01  0.521808D+00  0.148838D+01  0.257598D+01
      2   0.153910D+01  0.521808D+00  0.341471D+01 -0.326663D+00 -0.111975D+01
      3  -0.192573D+00  0.148838D+01 -0.326663D+00 -0.471265D+01  0.205680D+01
               101           102           103           104           105 
      1  -0.111975D+01  0.205680D+01 -0.831874D+00 -0.159782D+01 -0.427817D+00
      2  -0.389109D+00 -0.666139D+00 -0.159782D+01  0.322341D+01 -0.188476D+01
      3  -0.666139D+00  0.821415D+00 -0.427817D+00 -0.188476D+01 -0.130437D+00
               106           107           108           109           110 
      1   0.293488D+01 -0.157905D+01  0.224970D+01 -0.479278D+01  0.924710D+00
      2  -0.157905D+01 -0.550613D+00 -0.152580D+01  0.924710D+00 -0.961843D+00
      3   0.224970D+01 -0.152580D+01  0.454679D+01 -0.391432D+01  0.482904D+00
               111           112           113           114           115 
      1  -0.391432D+01  0.724631D+00 -0.125123D+01  0.711567D+00 -0.829007D+01
      2   0.482904D+00 -0.125123D+01  0.329567D+00 -0.170351D+01  0.240162D+01
      3  -0.214810D+01  0.711567D+00 -0.170351D+01  0.896864D+00 -0.435479D+01
               116           117           118           119           120 
      1   0.240162D+01 -0.435479D+01  0.744470D+00  0.373781D+00  0.125203D+01
      2  -0.364225D+01  0.158085D+01  0.373781D+00  0.213233D+01 -0.217504D+00
      3   0.158085D+01 -0.923810D+01  0.125203D+01 -0.217504D+00  0.142827D+00
               121           122           123           124           125 
      1   0.972086D+00  0.159357D+01 -0.636800D+00  0.329125D+01 -0.203427D+01
      2   0.159357D+01 -0.358837D+01  0.302075D+01 -0.203427D+01  0.572414D+01
      3  -0.636800D+00  0.302075D+01  0.198463D+00 -0.458589D+00  0.187023D+01
               126           127           128           129           130 
      1  -0.458589D+00  0.327051D+01 -0.403485D+00  0.267344D+01 -0.106856D+01
      2   0.187023D+01 -0.403485D+00  0.429600D+00 -0.540362D+00  0.131114D+00
      3   0.315147D+01  0.267344D+01 -0.540362D+00  0.278127D+01 -0.536546D+00
               131           132           133           134           135 
      1   0.131114D+00 -0.536546D+00  0.286110D+01 -0.466302D+00  0.332709D+01
      2  -0.157173D+00  0.132519D+00 -0.466302D+00  0.871126D+00 -0.995765D+00
      3   0.132519D+00 -0.641696D+00  0.332709D+01 -0.995765D+00  0.650669D+01
               136           137           138           139           140 
      1  -0.219534D+01 -0.793041D-01  0.228101D+01  0.166357D+00  0.854418D-01
      2  -0.793041D-01 -0.161390D+00  0.616280D-01  0.854418D-01 -0.382952D-01
      3   0.228101D+01  0.616280D-01 -0.258824D+01 -0.907036D-01  0.227255D-01
               141           142           143           144           145 
      1  -0.907036D-01  0.220342D+01  0.250812D+00 -0.305372D+01 -0.379391D+01
      2   0.227255D-01  0.250812D+00  0.782564D+00 -0.531801D+00  0.599570D+00
      3  -0.268717D+00 -0.305372D+01 -0.531801D+00  0.832820D+01 -0.209783D+01
               146           147           148           149           150 
      1   0.599570D+00 -0.209783D+01  0.920913D+00 -0.173786D+00  0.440497D+00
      2  -0.495259D+00  0.231922D+00 -0.173786D+00  0.148158D+00 -0.136691D+00
      3   0.231922D+00 -0.194704D+01  0.440497D+00 -0.136691D+00  0.490087D+00
               151           152           153           154           155 
      1  -0.251388D+01  0.178436D+00 -0.282673D+01  0.226031D+01  0.467564D-01
      2   0.178436D+00 -0.741048D+00  0.403219D+00  0.467564D-01  0.180760D+00
      3  -0.282673D+01  0.403219D+00 -0.545459D+01 -0.213454D+01  0.171793D+00
               156           157           158           159           160 
      1  -0.213454D+01 -0.235002D+00 -0.567568D-01  0.119093D+00 -0.243379D+01
      2   0.171793D+00 -0.567568D-01 -0.463827D-01 -0.504987D-01 -0.901890D-01
      3   0.231131D+01  0.119093D+00 -0.504987D-01  0.162173D+00  0.300819D+01
               161           162           163           164           165 
      1  -0.901890D-01  0.300819D+01  0.247425D+01 -0.110198D+01 -0.133277D+01
      2  -0.735040D+00 -0.150697D+00 -0.110198D+01  0.136884D+01  0.531716D+00
      3  -0.150697D+00 -0.769198D+01 -0.133277D+01  0.531716D+00  0.719819D+00
               166           167           168           169           170 
      1  -0.155655D+01  0.237668D+01  0.941876D+00 -0.594293D+01  0.951253D+00
      2   0.237668D+01 -0.404923D+01 -0.226586D+01  0.951253D+00 -0.322770D+01
      3   0.941876D+00 -0.226586D+01 -0.185534D+01  0.237935D+01 -0.258864D+01
               171           172           173           174           175 
      1   0.237935D+01  0.253231D+01 -0.871302D+00  0.163316D+01 -0.179284D+00
      2  -0.258864D+01 -0.871302D+00  0.147687D+01 -0.709765D+00  0.159604D+01
      3  -0.293155D+01  0.163316D+01 -0.709765D+00  0.129127D+01 -0.556644D+00
               176           177           178           179           180 
      1   0.159604D+01 -0.556644D+00  0.446317D+01 -0.847323D+00  0.195374D+01
      2  -0.178791D+01  0.104341D+01 -0.847323D+00  0.204676D+01 -0.207822D+01
      3   0.104341D+01 -0.114949D+01  0.195374D+01 -0.207822D+01  0.345076D+01
               181           182           183           184           185 
      1  -0.175062D+01 -0.120906D+00 -0.160828D+01 -0.470086D+00 -0.925046D+00
      2  -0.120906D+00 -0.118475D+01  0.453706D+00 -0.925046D+00  0.134979D+01
      3  -0.160828D+01  0.453706D+00 -0.143842D+01  0.304863D+00 -0.102944D+01
               186           187           188           189           190 
      1   0.304863D+00 -0.274872D+01  0.189960D+00 -0.101909D+01  0.821064D+00
      2  -0.102944D+01  0.189960D+00 -0.136297D+01  0.178602D+01 -0.846076D+00
      3   0.197242D+01 -0.101909D+01  0.178602D+01 -0.515032D+01 -0.916045D+00
               191           192           193           194           195 
      1  -0.846076D+00 -0.916045D+00 -0.233415D+01  0.187222D+01  0.131663D+01
      2   0.749686D+00  0.394613D+00  0.187222D+01 -0.284424D+01 -0.246209D+01
      3   0.394613D+00  0.103068D+01  0.131663D+01 -0.246209D+01 -0.295091D+01
               196           197           198           199           200 
      1  -0.264400D+01  0.979887D+00  0.262081D+01  0.344135D+01 -0.779973D+00
      2   0.979887D+00 -0.262813D+01 -0.261211D+01 -0.779973D+00  0.111008D+01
      3   0.262081D+01 -0.261211D+01 -0.468669D+01  0.178248D+01 -0.602867D+00
               201           202           203           204           205 
      1   0.178248D+01 -0.174139D+01  0.165709D+01 -0.804153D+00  0.481866D+01
      2  -0.602867D+00  0.165709D+01 -0.108572D+01  0.623123D+00 -0.105541D+01
      3   0.169014D+01 -0.804153D+00  0.623123D+00 -0.144027D+01  0.263667D+01
               206           207           208           209           210 
      1  -0.105541D+01  0.263667D+01  0.413402D+01  0.261855D+01 -0.923310D+00
      2   0.130417D+01 -0.136242D+01  0.261855D+01  0.234667D+01 -0.779162D+00
      3  -0.136242D+01  0.360717D+01 -0.923310D+00 -0.779162D+00  0.933214D+00
               211           212           213           214           215 
      1   0.615456D+01  0.430064D+01 -0.165587D+01 -0.131483D+01 -0.996211D+00
      2   0.430064D+01  0.533951D+01 -0.158345D+01 -0.996211D+00 -0.133051D+01
      3  -0.165587D+01 -0.158345D+01  0.126136D+01  0.167965D+01  0.721276D+00
               216           217           218           219           220 
      1   0.167965D+01  0.133914D+01  0.183013D+00  0.174152D+01 -0.657227D+00
      2   0.721276D+00  0.183013D+00  0.102650D+01 -0.163582D-01  0.595388D+00
      3  -0.109017D+01  0.174152D+01 -0.163582D-01  0.230777D+01 -0.633737D+00
               221           222           223           224           225 
      1   0.595388D+00 -0.633737D+00  0.234656D+01  0.433178D-01  0.219239D+01
      2  -0.311455D+00  0.549411D+00  0.433178D-01  0.115722D+01 -0.175224D+00
      3   0.549411D+00 -0.181011D+01  0.219239D+01 -0.175224D+00  0.612482D+01
               226           227           228           229           230 
      1  -0.836458D+01  0.540942D+00  0.108205D+01  0.316503D+00 -0.111942D+01
      2   0.540942D+00 -0.202968D+01 -0.802477D+00 -0.111942D+01  0.118445D+01
      3   0.108205D+01 -0.802477D+00 -0.104578D+01 -0.501951D+00  0.820100D-01
               231           232           233           234           235 
      1  -0.501951D+00  0.112755D+01 -0.351741D+00 -0.475596D+00  0.216720D+01
      2   0.820100D-01 -0.351741D+00 -0.463068D-01  0.192452D+00  0.264687D+01
      3   0.121434D+00 -0.475596D+00  0.192452D+00  0.961449D+00  0.117713D+00
               236           237           238           239           240 
      1   0.264687D+01  0.117713D+00  0.291407D+01  0.382879D+01 -0.857590D-01
      2   0.326059D+01  0.523841D-01  0.382879D+01  0.850286D+01 -0.123541D+00
      3   0.523841D-01  0.786802D+00 -0.857590D-01 -0.123541D+00  0.791236D+00
               241           242           243           244           245 
      1  -0.886732D+00 -0.766198D+00  0.796814D+00  0.249058D+00 -0.426447D+00
      2  -0.766198D+00 -0.173854D+01  0.675083D+00 -0.426447D+00 -0.531325D+00
      3   0.796814D+00  0.675083D+00 -0.183518D+00  0.160667D+01 -0.111762D+00
               246           247           248           249           250 
      1   0.160667D+01 -0.457599D+00 -0.995776D+00 -0.104978D+00  0.298300D+01
      2  -0.111762D+00 -0.995776D+00  0.245731D+00  0.747389D+00 -0.551517D-01
      3  -0.118365D+01 -0.104978D+00  0.747389D+00  0.198247D-01 -0.202099D+01
               251           252           253           254           255 
      1  -0.551517D-01 -0.202099D+01  0.821870D+01 -0.829306D+00 -0.132124D+01
      2   0.119846D+01  0.385705D-01 -0.829306D+00 -0.379022D+01 -0.111289D+00
      3   0.385705D-01  0.627963D+01 -0.132124D+01 -0.111289D+00 -0.112333D+01
               256           257           258           259           260 
      1  -0.610617D+01 -0.441576D+01 -0.648059D+00 -0.439794D+01 -0.805993D+00
      2  -0.441576D+01  0.145723D+01 -0.257980D+01 -0.805993D+00 -0.357508D+01
      3  -0.648059D+00 -0.257980D+01  0.384938D+00 -0.133034D+01  0.112681D+01
               261           262           263           264           265 
      1  -0.133034D+01 -0.110759D+01  0.160497D+01  0.549429D-01  0.161461D+01
      2   0.112681D+01  0.160497D+01 -0.216726D+01  0.327269D-01 -0.281300D+01
      3   0.391278D+01  0.549429D-01  0.327269D-01 -0.300315D+00  0.164579D+00
               266           267           268           269           270 
      1  -0.281300D+01  0.164579D+00 -0.770956D+00  0.133650D+01 -0.447720D+00
      2   0.927998D+01 -0.339013D+00  0.133650D+01 -0.378914D+01  0.112283D+01
      3  -0.339013D+00  0.126122D+01 -0.447720D+00  0.112283D+01 -0.382630D+00
               271           272           273           274           275 
      1  -0.251647D+00  0.111334D+00 -0.575198D+00  0.535459D+00  0.255524D+00
      2   0.111334D+00  0.631458D+00  0.183191D+00  0.255524D+00 -0.532266D+00
      3  -0.575198D+00  0.183191D+00  0.379504D+00 -0.410228D-01 -0.543430D+00
               276           277           278           279           280 
      1  -0.410228D-01 -0.219949D+01 -0.561320D+00 -0.513605D+00 -0.151489D+02
      2  -0.543430D+00 -0.561320D+00 -0.178105D+01 -0.140560D+01 -0.207259D+01
      3  -0.741416D+00 -0.513605D+00 -0.140560D+01 -0.573058D+01  0.429503D+00
               281           282           283           284           285 
      1  -0.207259D+01  0.429503D+00  0.953573D+00 -0.893947D+00  0.604082D-01
      2  -0.155340D+01 -0.543724D-01 -0.893947D+00 -0.208510D+00  0.290031D+00
      3  -0.543724D-01 -0.980650D+00  0.604082D-01  0.290031D+00  0.878427D-01
               286           287           288           289           290 
      1   0.174325D+01  0.373059D+00 -0.121835D+01 -0.136805D-01 -0.658356D+00
      2   0.373059D+00  0.614876D+00 -0.289830D+00 -0.658356D+00  0.213578D+01
      3  -0.121835D+01 -0.289830D+00 -0.115611D-01  0.496929D+00 -0.268846D+00
               291           292           293           294           295 
      1   0.496929D+00 -0.118296D+01 -0.445375D-01 -0.358717D-02  0.138605D+01
      2  -0.268846D+00 -0.445375D-01 -0.719407D+01  0.165335D+01  0.365970D+00
      3   0.460802D+00 -0.358717D-02  0.165335D+01 -0.133399D+01  0.172585D-01
               296           297 
      1   0.365970D+00  0.172585D-01
      2   0.302039D+01 -0.149646D+01
      3  -0.149646D+01  0.808961D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.263308D+01  0.252485D+01  0.238461D+01  0.918072D+01  0.158342D+01
      2   0.574473D+01 -0.157617D+01  0.323151D+01 -0.193871D+01 -0.827623D+00
      3   0.136959D+02 -0.187444D+01 -0.731651D+00  0.105473D+02  0.139647D+00
                 6             7             8             9            10 
      1  -0.215182D+01 -0.919270D+00  0.314121D+01  0.418104D+00 -0.417314D+01
      2  -0.206223D+00 -0.901681D+01  0.398489D+00 -0.381510D+00 -0.151803D+02
      3  -0.497319D+01 -0.135097D+02 -0.235485D+01  0.964916D+00 -0.284396D+02
                11            12            13            14            15 
      1  -0.703886D+00  0.170055D+01  0.160337D+01  0.418676D+00 -0.102822D+02
      2   0.252306D-01 -0.297557D+01  0.231783D+01 -0.202246D+01 -0.173635D+00
      3  -0.101651D+00  0.598153D+00  0.108576D+02 -0.199865D+01  0.160076D+00
                16            17            18            19            20 
      1  -0.339453D+01 -0.360473D+01 -0.705773D+00 -0.288613D+01 -0.132308D+01
      2  -0.247547D+02 -0.290534D+01 -0.345920D+01 -0.738677D+01  0.239807D+00
      3   0.260331D+01  0.505031D+00 -0.628459D-01 -0.123294D+02  0.509866D+00
                21            22            23            24            25 
      1  -0.137354D+01 -0.568877D+01  0.236177D+01  0.751348D+00 -0.203453D+00
      2   0.777649D+01 -0.153798D+01  0.653150D+00 -0.131929D+01 -0.108022D+02
      3  -0.185321D+00  0.115044D+02  0.600430D+00  0.342310D+01 -0.115086D+02
                26            27            28            29            30 
      1   0.395596D+01  0.124411D+01  0.174898D+01 -0.285296D+00 -0.275795D+01
      2   0.664102D+00  0.190240D+01  0.113398D+02  0.104761D+01 -0.394413D+01
      3   0.408957D+01 -0.168219D+01  0.245578D+02 -0.208057D+00 -0.984176D+00
                31            32            33            34            35 
      1  -0.319690D+01  0.146136D+01 -0.101971D+02 -0.458601D+01 -0.274213D+01
      2  -0.354519D+00  0.295284D+01  0.134587D+01 -0.269809D+02  0.130628D+01
      3   0.746397D+01  0.409716D+01 -0.393204D+00 -0.500910D+00 -0.376895D+01
                36            37            38            39            40 
      1  -0.173799D+00 -0.127416D+01  0.123217D+01 -0.152564D+01  0.704080D+01
      2  -0.343578D+00 -0.104191D+02 -0.147922D+01  0.541195D+01 -0.921048D+00
      3   0.350742D+01 -0.921294D+01 -0.640747D+00  0.158570D+01  0.131002D+02
                41            42            43            44            45 
      1  -0.240966D+01 -0.298229D+01  0.299786D+01  0.206677D+01 -0.133741D+01
      2  -0.160269D+01  0.278040D+00  0.493063D+01  0.202396D+00 -0.373975D+01
      3   0.270073D+00 -0.386663D+01  0.133424D+02 -0.214402D+01 -0.183646D+01
                46            47            48            49            50 
      1   0.294951D+01 -0.157290D+01  0.181216D+01 -0.691129D+01 -0.190562D+01
      2   0.120842D+02  0.368240D+00  0.104879D+02 -0.132126D+01  0.811796D+00
      3   0.143572D+02 -0.804161D+00  0.790329D+00  0.121728D+02 -0.701331D+00
                51            52            53            54            55 
      1  -0.221491D+01  0.149351D+01  0.301907D+01 -0.472961D+00  0.334386D+01
      2  -0.200249D+01  0.333763D+01 -0.801382D-01  0.566210D+01  0.238131D+01
      3   0.373847D+01  0.119611D+02  0.125402D+01  0.966245D+00  0.146621D+02
                56            57            58            59            60 
      1   0.179065D+01 -0.110422D+01  0.496433D+01  0.417173D+01  0.180077D+01
      2   0.315721D+00 -0.401723D+01  0.124701D+01  0.582009D+01  0.133786D+02
      3   0.734413D+01 -0.957445D+00  0.362065D+02  0.783852D+01 -0.507855D+01
                61            62            63            64            65 
      1  -0.165813D+01  0.655316D+01 -0.173463D+01 -0.449483D+01 -0.107321D+01
      2  -0.229073D+02  0.144715D+02 -0.590238D+01  0.824362D+01 -0.281991D+01
      3  -0.726357D+01 -0.657001D+01 -0.959301D+01 -0.171678D+02 -0.182593D+02
                66            67            68            69            70 
      1  -0.150928D+01 -0.247118D+01 -0.720514D+00  0.293364D+00  0.185509D+01
      2   0.145265D+02 -0.749515D+01 -0.668080D+01 -0.176093D+02  0.116820D+02
      3   0.502767D+01 -0.283365D+02 -0.502634D+01  0.618109D+01  0.954359D+01
                71            72            73            74            75 
      1   0.714193D+01 -0.381487D+00  0.166712D+01  0.201801D+01 -0.473182D+00
      2  -0.168125D+02  0.155771D+02 -0.906206D+01  0.546437D+01 -0.136280D+02
      3   0.908239D+01  0.163568D+02  0.876878D+01  0.169129D+02 -0.701342D+01
                76            77            78            79            80 
      1   0.375279D+01  0.838946D+00 -0.495332D+01 -0.113115D+00 -0.164650D+01
      2   0.648445D+01  0.135038D+02  0.224384D+02 -0.277027D+02  0.221050D+02
      3   0.351250D+02  0.107462D+02 -0.174457D+02 -0.695291D+01 -0.152267D+02
                81            82            83            84            85 
      1  -0.241432D+01  0.304305D+01 -0.453988D+01  0.490583D+01 -0.607981D+01
      2  -0.188641D+01 -0.140847D+02  0.643767D+01 -0.300065D+01  0.841855D+01
      3  -0.213584D+02  0.215338D+02  0.507611D+01 -0.751391D+01  0.128976D+02
                86            87            88            89            90 
      1  -0.992365D+01 -0.683205D+01  0.608176D+01 -0.914082D+00  0.872081D+01
      2   0.104606D+02  0.100346D+02 -0.869674D+01  0.884271D+01 -0.975031D+01
      3   0.735747D+01 -0.598328D+01 -0.873296D+01 -0.986183D+01 -0.132728D+02
                91            92            93            94            95 
      1   0.682192D+00  0.938652D+00  0.188873D+01  0.169387D+01 -0.866589D+00
      2  -0.439758D+01 -0.343779D+01  0.516266D+00  0.587277D+00 -0.933435D+01
      3  -0.272209D+00  0.289838D+01  0.271092D+01  0.324397D+02 -0.110889D+02
                96            97            98            99           100 
      1  -0.316751D+01  0.225185D+01  0.486387D+01 -0.164165D+01 -0.712474D+00
      2   0.115239D+00 -0.160286D+02  0.181370D+01  0.167025D+02  0.519026D+01
      3   0.561046D+01 -0.252355D+01  0.103471D+02 -0.242763D+01  0.114977D+02
               101           102           103           104           105 
      1  -0.615780D+01 -0.333797D+01 -0.184543D+01  0.281424D+00  0.107150D+01
      2   0.206419D+00  0.405721D+01 -0.233511D+01  0.836849D+01  0.576476D+01
      3  -0.158638D+02 -0.166733D+01 -0.936281D+01  0.450426D+01 -0.367580D+01
               106           107           108           109           110 
      1  -0.631647D+01 -0.108202D+01 -0.436190D+01  0.412998D+01  0.362903D+01
      2  -0.630352D+01  0.615191D+01 -0.239260D+02  0.893457D+01 -0.127507D+01
      3  -0.583242D+01  0.641485D+01 -0.405253D+01 -0.344100D+01 -0.332369D+01
               111           112           113           114           115 
      1   0.281537D+01  0.652476D+00  0.559639D+00 -0.341519D+01  0.349638D+01
      2   0.873155D+01  0.148674D+00  0.584785D+01 -0.522550D+01  0.741188D+01
      3  -0.844730D+00 -0.101424D+01  0.297077D+01 -0.620830D+01  0.991837D+01
               116           117           118           119           120 
      1   0.850507D+01  0.109931D+02 -0.346346D+01  0.219541D+01 -0.521545D+00
      2  -0.457440D+01  0.364310D+02 -0.570482D+01  0.146251D+01  0.997099D+00
      3  -0.173218D+02  0.434583D+01  0.381644D+00  0.739128D+01  0.166128D+01
               121           122           123           124           125 
      1   0.407435D+00 -0.443293D+01 -0.369951D+01 -0.210309D+01  0.598020D+01
      2  -0.513947D+00 -0.107030D+02 -0.171567D+01 -0.198468D+01 -0.537618D+01
      3   0.747866D+01 -0.754140D+01  0.948076D+01 -0.387829D+01  0.171145D+02
               126           127           128           129           130 
      1  -0.825199D+01  0.211629D+01  0.195248D+01  0.190502D+01 -0.914464D+00
      2  -0.107128D+02 -0.580336D+01 -0.105967D+00 -0.894413D+00  0.140871D+01
      3   0.643390D+01 -0.307377D+01 -0.143570D+01 -0.182037D+01  0.257289D+01
               131           132           133           134           135 
      1  -0.755330D-01 -0.217118D+01  0.262417D+01  0.289595D+01  0.473405D+01
      2  -0.102129D+00 -0.143227D+00 -0.415118D+01 -0.127497D+00  0.145776D+01
      3   0.222742D+00  0.321774D+00 -0.265497D+01 -0.193439D+01 -0.196825D+01
               136           137           138           139           140 
      1   0.175507D+01 -0.160936D+01 -0.201610D+01  0.447777D+00  0.973207D-01
      2   0.477662D+01  0.389787D-01 -0.128153D+01 -0.473994D+00 -0.787017D-01
      3   0.153993D+01 -0.759871D+00 -0.161465D+01  0.117111D+01 -0.355630D-01
               141           142           143           144           145 
      1  -0.217254D+01 -0.190567D+01  0.381465D+01  0.516199D+01 -0.268906D+01
      2   0.463455D+00 -0.482674D+01 -0.190117D+00 -0.102317D+01 -0.818270D+01
      3  -0.962919D-01 -0.141746D+01  0.165492D+01  0.193689D+01  0.264088D+01
               146           147           148           149           150 
      1   0.262659D+01 -0.145973D+01  0.575089D+00 -0.519406D+00 -0.114790D+01
      2   0.131863D+01 -0.125839D+01  0.130879D+01 -0.248066D+00  0.338033D+00
      3  -0.158018D+01  0.144851D+01  0.540706D+00  0.433238D+00 -0.174889D+00
               151           152           153           154           155 
      1  -0.181725D+01  0.344361D+01 -0.333651D+01 -0.202288D+01 -0.151348D+01
      2  -0.395300D+01  0.854676D-01  0.131922D+01  0.475346D+01  0.429268D+00
      3   0.151844D+01 -0.225715D+01  0.196998D+01 -0.137940D+01 -0.787513D+00
               156           157           158           159           160 
      1   0.135280D+01  0.240170D+00 -0.858546D-01 -0.192956D+01  0.261399D+01
      2  -0.766724D+00 -0.165809D+00 -0.260396D+00 -0.625406D-01 -0.447195D+01
      3   0.123115D+01  0.166800D+01  0.221360D+00 -0.896320D-01  0.192196D+01
               161           162           163           164           165 
      1   0.379130D+01 -0.523163D+01 -0.965705D+00 -0.140672D+00  0.136453D+01
      2  -0.349706D+00 -0.234814D+01 -0.487931D+01  0.150857D+01  0.427054D+01
      3   0.190179D+01 -0.174120D+01 -0.151337D+00 -0.444800D+01 -0.158032D+00
               166           167           168           169           170 
      1   0.564483D+00 -0.119835D+01 -0.358250D+01  0.265037D+01 -0.831426D+00
      2   0.239456D+01 -0.800417D+01 -0.716341D+01  0.592230D+01 -0.958560D+01
      3  -0.326705D+01  0.101453D+02  0.529044D+01  0.383403D+01  0.966335D+01
               171           172           173           174           175 
      1  -0.385218D+01  0.168265D+01 -0.184877D+00  0.191652D+01 -0.129179D+01
      2  -0.960338D+01  0.610907D+01 -0.255768D+01  0.631979D+01 -0.150513D+01
      3   0.533030D+01 -0.303311D+00 -0.522830D+01  0.718321D+00 -0.231609D+01
               176           177           178           179           180 
      1   0.803333D+00 -0.312960D+01  0.199215D+01 -0.441627D+00  0.502401D+01
      2   0.309969D+01 -0.455390D+01  0.285905D+01 -0.747467D+01  0.128354D+02
      3   0.390275D+01 -0.206730D+01 -0.267011D+01 -0.629564D+01  0.416132D+01
               181           182           183           184           185 
      1   0.253062D+01  0.149468D+01  0.143119D+01  0.556368D+00 -0.548581D+00
      2  -0.103322D+02  0.155271D+01 -0.648426D+01  0.125532D+01 -0.475303D+01
      3  -0.219371D+01  0.355043D+01 -0.278254D+01  0.574057D+01 -0.529979D+01
               186           187           188           189           190 
      1  -0.207958D+01  0.149205D+01  0.185390D+01  0.298119D+01  0.113221D+01
      2   0.737652D+01 -0.100022D+02  0.687582D+01 -0.208147D+02 -0.454445D+01
      3   0.420667D+01 -0.319033D+01  0.483347D+01 -0.831972D+01  0.456750D+01
               191           192           193           194           195 
      1  -0.994813D+00 -0.263081D+00 -0.150685D+01  0.390872D+01  0.951172D+00
      2   0.158843D+01  0.577184D+01  0.379317D+01 -0.120191D+02 -0.161317D+02
      3  -0.512771D+01 -0.255649D+01 -0.769092D+01  0.159374D+02  0.131509D+02
               196           197           198           199           200 
      1  -0.113829D+01  0.483480D+01  0.210773D+01  0.142208D+00 -0.182347D-02
      2   0.944338D+01 -0.138682D+02 -0.237647D+02  0.120084D+02 -0.403109D+01
      3  -0.435351D+01  0.150541D+02  0.142692D+02  0.469746D+01 -0.754271D+01
               201           202           203           204           205 
      1   0.541401D+00 -0.694331D+00 -0.894482D-01 -0.117717D+01 -0.241416D-01
      2   0.123141D+02 -0.507290D+01  0.445247D+01 -0.945799D+01  0.146160D+02
      3   0.365434D+01 -0.737433D+01  0.641908D+01 -0.338704D+01  0.567101D+01
               206           207           208           209           210 
      1   0.155809D+01  0.721819D+00 -0.186324D+01 -0.197004D+01 -0.580257D+00
      2  -0.838780D+01  0.230331D+02 -0.169055D+01 -0.234861D+01  0.655251D+01
      3  -0.839827D+01  0.784047D+01 -0.123385D+02 -0.143948D+02  0.423172D+01
               211           212           213           214           215 
      1  -0.233026D+01 -0.430287D+01 -0.147913D+01  0.192336D-01  0.177376D+01
      2  -0.428246D+01 -0.572299D+01  0.697826D+01  0.697118D+01  0.288761D+01
      3  -0.190891D+02 -0.297451D+02  0.817239D+01  0.486335D+01  0.759262D+01
               216           217           218           219           220 
      1   0.377698D+00 -0.337870D+01  0.188787D+01 -0.433911D+01  0.148947D+01
      2  -0.487922D+01  0.481006D+01  0.134037D+00  0.795679D+01 -0.710658D+00
      3  -0.329113D+01  0.472154D+00 -0.462786D+01  0.222448D+01 -0.183718D+01
               221           222           223           224           225 
      1  -0.211957D+01  0.281031D+01 -0.412364D+01  0.460966D+01 -0.118567D+02
      2   0.147694D+01 -0.691024D+01  0.229219D+01 -0.751635D+00  0.204281D+02
      3   0.254777D+01 -0.249109D+01  0.317860D+01 -0.520461D+01  0.338213D+01
               226           227           228           229           230 
      1  -0.342612D+01 -0.100181D+01  0.233357D+01 -0.403036D+00  0.427712D+00
      2   0.143757D+02 -0.284165D+01 -0.318982D+01 -0.185598D+01  0.155377D+01
      3  -0.214074D+02  0.574098D+01  0.491841D+01  0.612793D+01 -0.481792D+01
               231           232           233           234           235 
      1  -0.480640D+00  0.239263D+01  0.141563D+01 -0.163914D+01  0.173202D+01
      2  -0.724167D-01 -0.579321D+01  0.430202D+00  0.314928D+01 -0.111341D+01
      3  -0.114158D+01  0.390205D+01 -0.813044D-01 -0.184548D+01 -0.580237D+01
               236           237           238           239           240 
      1   0.292022D+01 -0.296766D+01  0.423744D+01  0.739194D+01 -0.451448D+01
      2  -0.165211D+01  0.404508D+01 -0.306806D+01 -0.354126D+01  0.412859D+01
      3  -0.962861D+01 -0.182557D+00 -0.556890D+01 -0.262952D+02 -0.515846D-02
               241           242           243           244           245 
      1  -0.205370D+01 -0.137834D+01  0.130606D+01  0.391916D+00 -0.637448D+00
      2   0.245161D+01  0.267083D+01 -0.105663D+01 -0.642937D+01  0.555977D+00
      3   0.148391D+01  0.573121D+01 -0.119239D+01 -0.100314D+01 -0.230897D+01
               246           247           248           249           250 
      1  -0.720049D+00 -0.385678D+00  0.761009D+00 -0.334263D+00 -0.119207D+01
      2   0.385493D+01  0.313151D+00 -0.152811D+01 -0.190612D-01  0.110282D+01
      3  -0.105533D+01 -0.135312D+01  0.100767D+01  0.205629D+01 -0.123868D+01
               251           252           253           254           255 
      1   0.336013D+01  0.237349D+01 -0.176744D+01  0.518009D+00 -0.300008D+01
      2  -0.246839D+00 -0.197256D+02  0.950628D+01  0.147963D+01  0.727569D+01
      3   0.342232D+01  0.162528D+01 -0.196074D+02 -0.163459D+02  0.171657D+01
               256           257           258           259           260 
      1  -0.144269D+01 -0.621184D+01  0.686470D+00 -0.807831D+00  0.557211D+01
      2   0.447609D+01  0.108691D+02 -0.322788D+01  0.494872D+01 -0.500720D+01
      3  -0.872527D+01  0.129611D+02 -0.964836D+01  0.123721D+01 -0.122555D+02
               261           262           263           264           265 
      1   0.825022D+01  0.878954D+00 -0.114127D+01  0.106651D+01 -0.245125D+01
      2  -0.184984D+02  0.220855D+00 -0.748975D+00  0.913945D+00 -0.972371D+00
      3   0.601759D+01  0.330576D+01 -0.505040D+01 -0.628756D+00 -0.436923D+01
               266           267           268           269           270 
      1   0.710631D+01 -0.401100D+01  0.116438D+01 -0.275423D+01  0.253006D+01
      2   0.268062D+01 -0.445575D+01  0.110381D+01 -0.402539D+01  0.183248D+01
      3   0.279825D+02 -0.785580D+00  0.274766D+01 -0.120961D+02  0.333550D+01
               271           272           273           274           275 
      1  -0.171664D+01 -0.487119D+00  0.959715D+00 -0.208236D+00 -0.140235D+01
      2   0.471026D+01 -0.399028D+00 -0.218740D+01  0.982535D+00  0.226157D+01
      3  -0.135932D-01  0.159410D+01  0.148057D+01  0.116145D+01 -0.217430D+01
               276           277           278           279           280 
      1  -0.184173D+01  0.127695D+00  0.819438D+00 -0.116833D+02  0.834804D+00
      2   0.276568D+01 -0.254169D+01  0.511090D+01  0.235791D+02 -0.341001D+01
      3  -0.181759D+01  0.195506D+01 -0.556906D+01 -0.470875D+01  0.161075D+02
               281           282           283           284           285 
      1   0.849998D-01 -0.234254D+01  0.335226D+00  0.693282D+00 -0.490658D+00
      2   0.238380D+00  0.760586D+01 -0.686266D+00 -0.132150D+01  0.213852D+00
      3  -0.658527D+01 -0.119683D+01 -0.351767D+01  0.586573D+00  0.115587D+01
               286           287           288           289           290 
      1  -0.207481D+01  0.306447D+00 -0.281637D+00  0.143946D+01 -0.474868D+00
      2   0.392419D+01  0.947624D+00  0.384085D+00 -0.227473D+01  0.855621D+00
      3  -0.127467D+01  0.207666D+01  0.650447D+00 -0.429325D+01  0.811528D+01
               291           292           293           294           295 
      1   0.191342D+01 -0.213555D+00  0.395161D+01 -0.523134D+01  0.822315D+00
      2  -0.168525D+01  0.752375D-01 -0.606235D+01  0.483046D+01 -0.205176D+01
      3  -0.209990D+01  0.501858D+01 -0.265206D+02  0.667207D+01 -0.217947D+01
               296           297 
      1  -0.208748D+01  0.240793D+01
      2   0.515176D+01 -0.276893D+01
      3   0.106023D+02 -0.574143D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.767849D+01  0.318574D+01 -0.283424D+02  0.742637D+01 -0.130407D+02
      2   0.486218D+01 -0.381565D+01  0.815086D+01 -0.719541D+01  0.132535D+02
      3   0.281631D+01  0.629907D+00  0.201915D+02 -0.230956D+00 -0.212846D+00
      4   0.555252D+01  0.326310D+01  0.341114D+01  0.109133D+02 -0.326102D+01
      5  -0.127078D+02  0.340324D+01 -0.603189D+01  0.396852D+01  0.653960D+01
      6   0.290688D+01  0.533217D+01 -0.388233D+01  0.445598D+01 -0.101748D+02
                 6             7             8             9            10 
      1   0.103726D+02  0.369267D+02  0.369188D+01  0.701253D+01  0.474160D+02
      2  -0.115891D+02 -0.331502D+01 -0.667459D+01  0.319209D+01 -0.196674D+02
      3   0.121656D+01 -0.336116D+02  0.298271D+01 -0.102046D+02 -0.277486D+02
      4   0.600551D+01 -0.354833D+01  0.511338D+01  0.266382D+01 -0.121386D+02
      5   0.251060D+01  0.216406D+01  0.181342D+01 -0.893971D+01 -0.104412D+02
      6   0.142506D+02  0.457429D+01  0.541165D+01  0.259697D+01  0.639608D+01
                11            12            13            14            15 
      1   0.708358D+01 -0.484035D+01  0.732470D+01  0.104268D+01  0.843306D+00
      2  -0.618451D+01  0.914810D+00 -0.123939D+02  0.919529D+01  0.124479D+01
      3  -0.899074D+00  0.392554D+01  0.506921D+01 -0.102380D+02 -0.208809D+01
      4  -0.742570D+00  0.116664D+00  0.216161D+02 -0.558057D+01 -0.114327D+01
      5  -0.648431D+00  0.964976D+01  0.447141D+01 -0.355053D+00 -0.308794D+01
      6   0.132770D+01 -0.796858D+01  0.979790D+00  0.195876D+01  0.603203D+01
                16            17            18            19            20 
      1  -0.960398D+01 -0.127520D+01 -0.194412D+02  0.643474D+01 -0.681373D+01
      2  -0.107729D+01  0.356768D+01 -0.132185D+01 -0.172012D+00  0.579658D+01
      3   0.106813D+02 -0.229248D+01  0.207631D+02 -0.626273D+01  0.101715D+01
      4   0.161362D+01 -0.163362D+01 -0.336229D+01 -0.438273D+01 -0.528111D+00
      5  -0.176362D+02 -0.323156D+01  0.589094D+00  0.119502D+02 -0.245487D+00
      6  -0.645564D+00 -0.426996D+01 -0.177815D+01 -0.197286D+01 -0.646832D+01
                21            22            23            24            25 
      1   0.280235D+02 -0.541705D+00 -0.121347D+02 -0.117226D+01 -0.212939D+02
      2  -0.117672D+02  0.226204D+01  0.891144D+01 -0.697269D+01 -0.287186D+01
      3  -0.162563D+02 -0.172034D+01  0.322324D+01  0.814495D+01  0.241657D+02
      4   0.113032D+01  0.130802D+02  0.357445D+01 -0.550248D+01 -0.504594D+01
      5  -0.119536D+02 -0.429591D+01 -0.486353D+01  0.203059D+01  0.673457D+01
      6   0.855102D+01 -0.444776D+01 -0.632634D+01  0.160360D+02 -0.244555D+01
                26            27            28            29            30 
      1   0.119808D+01  0.892384D+01  0.180028D+02 -0.759863D+00  0.276442D+01
      2  -0.365229D+01  0.542125D+01 -0.201721D+01  0.467559D+01  0.183006D+01
      3   0.245421D+01 -0.143451D+02 -0.159856D+02 -0.391572D+01 -0.459447D+01
      4  -0.655505D+01 -0.323032D+00  0.233196D+02  0.170849D+01  0.644777D-01
      5  -0.463589D+00  0.928152D+01  0.248774D+00  0.224376D-01  0.802823D+01
      6   0.763464D+01  0.214982D+00 -0.612036D+00 -0.284262D+01  0.396311D+01
                31            32            33            34            35 
      1  -0.277591D+01  0.156728D+01  0.143034D+01 -0.384138D+01  0.357529D+01
      2   0.516818D+01  0.694365D+01 -0.905215D+00 -0.710986D+00  0.771290D+00
      3  -0.239227D+01 -0.851093D+01 -0.525126D+00  0.455237D+01 -0.434658D+01
      4   0.196260D+02  0.240764D+01  0.194377D+01  0.684715D+00  0.580427D+01
      5   0.859866D+00  0.137069D+01 -0.337079D+00 -0.217185D+02 -0.260249D+00
      6  -0.342999D+01  0.878486D+00  0.326228D+01  0.125495D+01 -0.449045D+01
                36            37            38            39            40 
      1  -0.238261D+02  0.808117D+00 -0.140042D+01 -0.281097D+02 -0.264960D+01
      2   0.280234D+00 -0.712066D+00  0.288259D+01  0.106750D+02  0.137167D+01
      3   0.235458D+02 -0.960513D-01 -0.148217D+01  0.174347D+02  0.127792D+01
      4  -0.299370D+01 -0.116027D+01  0.162883D+01  0.547373D+00  0.562497D+01
      5  -0.462727D+00 -0.210531D+02  0.148663D+01 -0.141458D+01  0.258482D+01
      6  -0.367868D+01  0.491611D+01  0.604099D+01  0.541931D+01  0.647812D+01
                41            42            43            44            45 
      1  -0.895716D+01 -0.113253D+01  0.250281D+02 -0.417221D+01  0.117366D+02
      2   0.938628D+01  0.275129D+01  0.256106D+01  0.158457D+01  0.768190D+00
      3  -0.429118D+00 -0.161876D+01 -0.275891D+02  0.258763D+01 -0.125047D+02
      4   0.187440D+01  0.657585D+01  0.626338D+01  0.555425D+01  0.242564D+01
      5   0.403213D+01  0.211461D+01  0.140606D+02  0.684484D+00 -0.888658D+01
      6   0.337097D+01  0.994260D+01  0.394138D+00  0.501733D+01  0.519744D+01
                46            47            48            49            50 
      1  -0.244678D+01 -0.231201D+01  0.248502D+02  0.546840D+01 -0.114695D+02
      2   0.618879D+01 -0.195079D+00 -0.906790D+01 -0.259350D+01  0.106154D+02
      3  -0.374201D+01  0.250708D+01 -0.157823D+02 -0.287489D+01  0.854138D+00
      4   0.319607D+01  0.101685D+01 -0.195809D+01  0.369864D+01  0.136001D+00
      5   0.234786D+02 -0.162184D+01 -0.663319D+01 -0.592909D+01 -0.364677D+01
      6  -0.462305D+01 -0.352089D+01 -0.312325D+00 -0.335432D+01  0.741123D+01
                51            52            53            54            55 
      1  -0.121273D+02 -0.280036D+02 -0.478598D+01  0.108420D+02 -0.327296D+02
      2   0.875820D+01  0.344572D+01  0.493324D+01  0.642428D+01  0.156215D+02
      3   0.336914D+01  0.245579D+02 -0.147264D+00 -0.172663D+02  0.171081D+02
      4  -0.504346D+01  0.450149D+01 -0.388479D+01 -0.148950D+00 -0.105489D+01
      5   0.264848D+00  0.114834D+02  0.150733D+00  0.864562D+01  0.155832D+01
      6   0.138679D+02 -0.209547D+01  0.662981D+01  0.286586D+01 -0.518587D+01
                56            57            58            59            60 
      1  -0.922876D+01 -0.228358D+01 -0.469206D+02 -0.277332D+02  0.878980D+01
      2   0.548429D+01  0.141613D+01  0.258738D+02  0.124402D+02 -0.612656D+01
      3   0.374446D+01  0.867453D+00  0.210468D+02  0.152929D+02 -0.266323D+01
      4  -0.199645D+02  0.208553D+01 -0.476149D+02  0.583822D+01  0.110896D+02
      5   0.283348D+01 -0.155674D+02  0.671720D+01  0.117212D+02  0.223267D+02
      6  -0.112622D+01  0.494439D+01  0.293177D+01 -0.682272D+01 -0.101011D+02
                61            62            63            64            65 
      1   0.770770D+01  0.830660D+01 -0.122101D+02 -0.434383D+02  0.110191D+02
      2  -0.529984D+00 -0.439363D+01  0.334002D+01  0.284988D+02 -0.529810D+01
      3  -0.717771D+01 -0.391297D+01  0.887010D+01  0.149395D+02 -0.572104D+01
      4   0.270536D+01  0.137363D+02  0.331595D+02  0.135229D+02  0.264129D+02
      5  -0.309244D+02  0.295686D+02 -0.923195D+01  0.285153D+02 -0.590901D+01
      6   0.140164D+02 -0.114399D+02 -0.694452D+00  0.576701D+01  0.213754D+00
                66            67            68            69            70 
      1   0.297991D+02  0.511981D+02  0.443099D+02 -0.108542D+02  0.293824D+02
      2  -0.147884D+02 -0.211959D+02 -0.193134D+02  0.273550D+01 -0.147261D+02
      3  -0.150106D+02 -0.300022D+02 -0.249964D+02  0.811865D+01 -0.146563D+02
      4  -0.394916D+01  0.469229D+02  0.601112D+01 -0.150501D+02 -0.808249D+01
      5   0.159182D+02 -0.174027D+02 -0.172787D+02 -0.286973D+02  0.298369D+02
      6   0.642942D+01 -0.340253D+01 -0.259690D+01 -0.685332D+01  0.103680D+01
                71            72            73            74            75 
      1  -0.679250D+01  0.380122D+02  0.537220D+02 -0.130591D+02 -0.313948D+02
      2  -0.408908D+01 -0.193093D+02 -0.313988D+02  0.388441D+01  0.148004D+02
      3   0.108816D+02 -0.187029D+02 -0.223232D+02  0.917471D+01  0.165944D+02
      4  -0.169899D+02 -0.269799D+02 -0.181048D+02 -0.368506D+02  0.131516D+02
      5  -0.291209D+02  0.197828D+02 -0.285780D+02  0.145984D+02 -0.242651D+02
      6  -0.541986D+01  0.685484D+01  0.229789D+01  0.652576D+01 -0.894269D+00
                76            77            78            79            80 
      1  -0.264434D+02 -0.457291D+02  0.202292D+02 -0.336224D+02  0.174944D+02
      2   0.673731D+01  0.233971D+02 -0.192038D+01  0.150609D+02 -0.103857D+01
      3   0.197061D+02  0.223320D+02 -0.183088D+02  0.185615D+02 -0.164558D+02
      4  -0.590304D+02 -0.245355D+02  0.322699D+02  0.156004D+02  0.277619D+02
      5   0.204603D+02  0.352161D+02  0.387726D+02 -0.413749D+02  0.394766D+02
      6   0.111042D+02  0.484285D+01 -0.623203D+01  0.565840D+00 -0.566471D+01
                81            82            83            84            85 
      1  -0.383630D+02  0.507718D+02 -0.892392D+01 -0.131159D+02 -0.134169D+02
      2   0.235321D+02 -0.332459D+02 -0.799894D+01  0.159910D+02 -0.106407D+02
      3   0.148309D+02 -0.175259D+02  0.169229D+02 -0.287505D+01  0.240575D+02
      4   0.380775D+02 -0.516651D+01 -0.285740D+02  0.186616D+01 -0.362691D+02
      5  -0.111716D+01 -0.103588D+02  0.444618D+01 -0.175734D+02  0.788305D+01
      6  -0.619149D+01 -0.539544D+01 -0.623610D-01 -0.553279D+01  0.947931D+00
                86            87            88            89            90 
      1  -0.241269D+02 -0.190153D+01 -0.137063D+02 -0.238600D+01 -0.240523D+02
      2  -0.684408D+01 -0.126242D+00  0.176311D+02  0.504721D+01  0.281682D+02
      3   0.309710D+02  0.202777D+01 -0.392483D+01 -0.266121D+01 -0.411588D+01
      4  -0.362651D+02  0.154591D+02  0.361051D+01  0.253576D+02  0.149368D+02
      5   0.125929D+02  0.255714D+02 -0.246732D+02  0.218056D+02 -0.280977D+02
      6   0.675235D+01  0.108181D+02 -0.363040D+01  0.930525D+01 -0.240416D+01
                91            92            93            94            95 
      1   0.116374D+02 -0.402660D+01  0.279900D+00 -0.150459D+02 -0.199844D+02
      2  -0.110744D+02 -0.397926D+01 -0.297134D+01  0.294703D+01  0.367736D+01
      3  -0.562999D+00  0.800586D+01  0.269144D+01  0.120989D+02  0.163070D+02
      4  -0.210554D+02 -0.204498D+02 -0.583564D+01 -0.479741D+02  0.603010D+01
      5  -0.158862D+01 -0.485838D+01 -0.683633D+01 -0.487572D+01 -0.115880D+02
      6  -0.245538D+01 -0.115874D+01 -0.321273D+01 -0.420163D+01 -0.282498D+01
                96            97            98            99           100 
      1  -0.194441D+01 -0.115423D+02 -0.362122D+01 -0.172444D+01 -0.354532D+01
      2   0.137829D+01 -0.477413D+01 -0.401182D+00  0.114235D+02  0.354109D+01
      3   0.566116D+00  0.163165D+02  0.402240D+01 -0.969904D+01  0.423451D-02
      4  -0.118719D+02 -0.104497D+02 -0.233125D+02  0.251722D+00  0.770089D+01
      5  -0.506866D+00 -0.104727D+02  0.148539D+01  0.361135D+02 -0.193740D+02
      6   0.576743D+00 -0.226525D+01  0.234153D+01  0.295635D+01  0.548194D+01
               101           102           103           104           105 
      1   0.296168D+01 -0.932090D+01  0.116294D+02  0.802217D+01  0.474504D+01
      2  -0.955907D+00  0.928095D+01 -0.918538D+01 -0.383310D+01 -0.869831D+01
      3  -0.200577D+01  0.399470D-01 -0.244401D+01 -0.418907D+01  0.395327D+01
      4   0.276610D+01  0.561228D+01  0.494818D+01 -0.163862D+02  0.139275D+02
      5   0.506030D+01 -0.682145D+01  0.455417D+00  0.135521D+02  0.127868D+02
      6  -0.400749D+01  0.594153D+01  0.474933D+01 -0.123595D+02 -0.868774D+01
               106           107           108           109           110 
      1  -0.268135D+02  0.572974D+01 -0.892703D+01  0.393691D+02 -0.549077D+01
      2   0.186574D+02 -0.480641D+01  0.116317D+02 -0.256578D+02  0.149941D+01
      3   0.815611D+01 -0.923331D+00 -0.270465D+01 -0.137113D+02  0.399136D+01
      4   0.131280D+02 -0.174352D+01  0.146947D+02 -0.139146D+02  0.148487D+02
      5  -0.268376D+02  0.128558D+02 -0.405046D+02  0.369494D+02 -0.453638D+01
      6   0.108687D+02 -0.150403D+02  0.139945D+02 -0.998426D+01  0.308006D+01
               111           112           113           114           115 
      1   0.266416D+02 -0.347860D+01  0.179431D+01  0.118436D+01  0.421236D+02
      2  -0.191912D+02 -0.691917D+00  0.178928D+01 -0.183543D-01 -0.268272D+02
      3  -0.745040D+01  0.417052D+01 -0.358360D+01 -0.116600D+01 -0.152964D+02
      4  -0.842967D+01  0.154346D+02 -0.613271D+01  0.129293D+02 -0.191395D+02
      5   0.270116D+02 -0.657221D+01  0.128728D+02 -0.103567D+02  0.458924D+02
      6  -0.620308D+01  0.479473D+01 -0.649836D+01  0.131309D+02 -0.119539D+02
               116           117           118           119           120 
      1  -0.115552D+01  0.987462D+01  0.846951D+00 -0.123229D+02 -0.965602D+01
      2  -0.291596D+01 -0.306085D+02 -0.120146D+01  0.151556D+02  0.414129D+01
      3   0.407148D+01  0.207339D+02  0.354514D+00 -0.283269D+01  0.551473D+01
      4   0.275832D+02 -0.136555D+02 -0.168411D+01 -0.535913D+01  0.704287D+01
      5  -0.123297D+02  0.747308D+02 -0.879984D+01  0.234116D+01  0.441819D+01
      6   0.147123D+02 -0.280155D+02  0.499924D+01 -0.316813D+00 -0.359031D+00
               121           122           123           124           125 
      1  -0.783008D+01 -0.895183D+01 -0.511881D+01 -0.118248D+02 -0.728817D+01
      2   0.131673D+02 -0.402571D+01  0.113498D+02 -0.103257D+00  0.214092D+02
      3  -0.533725D+01  0.129775D+02 -0.623096D+01  0.119281D+02 -0.141210D+02
      4  -0.429152D+01  0.285283D+02 -0.204353D+02  0.197610D+02 -0.383075D+02
      5   0.803400D+01 -0.205061D+02 -0.617974D+01  0.109180D+02 -0.144411D+02
      6  -0.519443D+01  0.199079D+02  0.105259D+02 -0.433445D+01  0.159910D+02
               126           127           128           129           130 
      1  -0.469633D+01  0.762666D+00  0.168690D+01 -0.359168D+01 -0.874585D+00
      2  -0.105997D+01 -0.647765D+01 -0.644963D+00 -0.600142D+01  0.160969D+01
      3   0.575630D+01  0.571499D+01 -0.104193D+01  0.959310D+01 -0.735107D+00
      4  -0.123723D+02 -0.562590D+01  0.422795D+01 -0.521182D+01  0.122160D+01
      5  -0.230417D+02  0.168879D+02 -0.290917D+01  0.170955D+02 -0.270370D+01
      6   0.174368D+02 -0.627956D+01  0.383985D+01 -0.695401D+01  0.174807D+01
               131           132           133           134           135 
      1  -0.118371D+01  0.141360D+01 -0.502950D+01  0.412885D+01 -0.201589D+02
      2  -0.408619D+00  0.126419D+01 -0.733372D+01 -0.516051D+00 -0.118611D+02
      3   0.159233D+01 -0.267779D+01  0.123632D+02 -0.361279D+01  0.320200D+02
      4  -0.142195D+01  0.213162D+01 -0.458375D+01  0.406223D+01 -0.651039D+01
      5   0.214933D+01 -0.346300D+01  0.176183D+02 -0.357586D+01  0.256241D+02
      6  -0.106702D+01  0.289041D+01 -0.699268D+01  0.743480D+01 -0.141755D+02
               136           137           138           139           140 
      1  -0.259234D+01 -0.164646D+00  0.595470D+01 -0.454517D+00 -0.115287D+01
      2  -0.564605D+01  0.331543D-01  0.622450D+01 -0.128932D-01 -0.514428D+00
      3   0.823839D+01  0.131492D+00 -0.121792D+02  0.467410D+00  0.166730D+01
      4   0.265809D+01  0.221101D+01 -0.262224D+01  0.316261D+00 -0.194358D+00
      5  -0.114810D+02 -0.664596D+00  0.146831D+02  0.332652D-01 -0.116632D+01
      6  -0.283906D+01 -0.200883D+01  0.309702D+01 -0.336269D+00 -0.224236D+00
               141           142           143           144           145 
      1   0.757913D+00  0.801898D+01  0.267781D+01 -0.312395D+02  0.440370D+01
      2   0.503614D+00  0.643258D+01 -0.635733D+00 -0.162274D+02 -0.551987D+01
      3  -0.126153D+01 -0.144516D+02 -0.204207D+01  0.474669D+02  0.111617D+01
      4  -0.796855D+00 -0.290494D+01 -0.280837D+01  0.404597D+01 -0.105849D+00
      5  -0.210872D+00  0.138809D+02  0.145035D+01 -0.227882D+02  0.115365D+02
      6   0.192596D+01  0.443560D+01  0.689624D+01 -0.119511D+02  0.125434D+01
               146           147           148           149           150 
      1  -0.963663D+00 -0.144919D+01 -0.136036D+01 -0.196946D+00  0.130253D+01
      2   0.717016D+00 -0.413501D+01  0.693381D+00 -0.634559D+00  0.603619D+00
      3   0.246648D+00  0.558420D+01  0.666984D+00  0.831505D+00 -0.190615D+01
      4   0.318121D+01  0.716951D+00  0.170027D+01 -0.125159D+01  0.652357D+00
      5  -0.117356D+01  0.102216D+02 -0.133707D+01  0.206153D+01 -0.193229D+01
      6   0.154284D+01  0.132680D+01  0.388607D+00 -0.781681D+00  0.821297D+00
               151           152           153           154           155 
      1  -0.417333D+01  0.963423D+00 -0.150442D+02  0.441718D+00  0.124425D+01
      2  -0.523288D+01  0.818264D+00 -0.908381D+01 -0.522707D+01 -0.935297D+00
      3   0.940621D+01 -0.178169D+01  0.241280D+02  0.478535D+01 -0.308949D+00
      4   0.143630D+01  0.261696D+01  0.126810D+01 -0.168445D+01  0.218350D+01
      5   0.125074D+02 -0.922276D+00  0.174135D+02 -0.973355D+01  0.431050D+00
      6   0.223336D+01  0.411085D+01  0.370582D+01  0.330867D+01 -0.178133D+01
               156           157           158           159           160 
      1   0.307516D+01 -0.102951D+01 -0.121580D+01  0.140371D+01  0.372531D+01
      2   0.510550D+01  0.554178D+00 -0.419285D+00 -0.151375D+00  0.666142D+01
      3  -0.818065D+01  0.475333D+00  0.163509D+01 -0.125234D+01 -0.103867D+02
      4   0.221481D+01  0.110060D+01 -0.511932D+00 -0.102162D+01  0.156215D+01
      5   0.124447D+02  0.481394D+00 -0.176566D+01 -0.618571D+00  0.131833D+02
      6  -0.425362D+01 -0.117028D+01 -0.628256D-01  0.136589D+01 -0.385247D+01
               161           162           163           164           165 
      1  -0.154126D+01 -0.238271D+02  0.117311D+02 -0.522992D+01 -0.640269D+01
      2   0.955945D+00 -0.131001D+02 -0.417547D+01  0.846038D+00  0.261556D+01
      3   0.585315D+00  0.369271D+02 -0.755565D+01  0.438389D+01  0.378712D+01
      4  -0.264164D+01 -0.283132D+01 -0.121333D+02  0.151118D+02  0.639556D+01
      5  -0.355706D+00 -0.207531D+02 -0.109823D+02  0.498825D+01  0.871581D+01
      6   0.571416D+01  0.102152D+02  0.512786D+01 -0.228803D+01 -0.267412D+01
               166           167           168           169           170 
      1  -0.373618D+01 -0.325015D+01 -0.330545D+01 -0.211796D+02 -0.535736D+01
      2  -0.222900D+01  0.123207D+02  0.548410D+01  0.917825D+01  0.652546D+01
      3   0.596518D+01 -0.907058D+01 -0.217865D+01  0.120013D+02 -0.116809D+01
      4   0.227520D+02 -0.302777D+02 -0.166475D+02  0.149575D+02 -0.242366D+02
      5   0.800313D+01 -0.151543D+02 -0.127584D+02  0.197262D+02 -0.177553D+02
      6  -0.576708D+01  0.122202D+02  0.103958D+02 -0.939842D+01  0.124195D+02
               171           172           173           174           175 
      1   0.274504D+00  0.173658D+02 -0.395686D+01  0.879082D+01  0.243773D+00
      2  -0.105595D+01 -0.864338D+01 -0.460640D-01 -0.446509D+01 -0.246487D+01
      3   0.781450D+00 -0.872244D+01  0.400292D+01 -0.432572D+01  0.222110D+01
      4  -0.206295D+02 -0.117034D+02  0.146456D+02 -0.851092D+01  0.139914D+02
      5  -0.203378D+02  0.151230D+02 -0.690220D+01  0.133981D+02 -0.555887D+01
      6   0.119795D+02 -0.502257D+01  0.258576D+01 -0.352139D+01  0.372086D+01
               176           177           178           179           180 
      1   0.150680D+01  0.775254D+00  0.202056D+02  0.398282D+00  0.203870D+01
      2   0.335417D+01 -0.219262D+01 -0.100985D+02 -0.261936D+01 -0.347225D+01
      3  -0.486097D+01  0.141737D+01 -0.101071D+02  0.222107D+01  0.143354D+01
      4  -0.148662D+02  0.863031D+01 -0.137262D+02  0.168275D+02 -0.179834D+02
      5   0.816749D+01 -0.872100D+01  0.183554D+02 -0.158288D+02  0.269746D+02
      6  -0.539192D+01  0.760752D+01 -0.673713D+01  0.907725D+01 -0.102682D+02
               181           182           183           184           185 
      1  -0.107498D+02  0.326496D+01 -0.154846D+02  0.147330D+01 -0.153114D+02
      2   0.298090D+01 -0.172155D+01  0.526271D+01 -0.142825D+01  0.897318D+01
      3   0.776886D+01 -0.154342D+01  0.102219D+02 -0.450573D-01  0.633825D+01
      4  -0.215537D+01 -0.530006D+01  0.846976D+00 -0.274204D+01  0.703244D+01
      5  -0.817913D+01  0.133750D+01 -0.527768D+01  0.693551D+00 -0.513800D+01
      6  -0.454045D+01  0.181602D+01 -0.475465D+01  0.184295D+01 -0.560631D+01
               186           187           188           189           190 
      1   0.781175D+01 -0.255384D+02  0.790782D+01 -0.246810D+02  0.109304D+02
      2  -0.369600D+01  0.104378D+02 -0.172830D+01  0.148773D+00 -0.759582D+01
      3  -0.411575D+01  0.151006D+02 -0.617951D+01  0.245323D+02 -0.333457D+01
      4  -0.495124D+01 -0.123968D+00 -0.755792D+01  0.100080D+02 -0.914741D+01
      5   0.128574D+02 -0.185660D+01  0.114856D+02 -0.318474D+02 -0.119994D+02
      6   0.989261D+01 -0.271864D+01  0.791480D+01 -0.133844D+02  0.263191D+01
               191           192           193           194           195 
      1  -0.934228D+01 -0.100999D+02 -0.240013D+02  0.123371D+02  0.666614D+01
      2   0.566870D+01  0.682940D+01  0.150593D+02 -0.741646D+01 -0.947440D+01
      3   0.367358D+01  0.327054D+01  0.894200D+01 -0.492064D+01  0.280827D+01
      4   0.108571D+02  0.569575D+01  0.223166D+02 -0.298054D+02 -0.258660D+02
      5   0.665496D+01  0.153379D+02  0.171114D+02 -0.267770D+02 -0.332547D+02
      6  -0.181711D+01 -0.119143D+01 -0.446466D+01  0.814574D+01  0.819877D+01
               196           197           198           199           200 
      1  -0.250791D+02  0.417220D+01  0.148063D+02  0.459780D+02 -0.107957D+02
      2   0.182690D+02 -0.750466D+01 -0.217746D+02 -0.227171D+02  0.524351D+01
      3   0.681004D+01  0.333247D+01  0.696827D+01 -0.232609D+02  0.555216D+01
      4   0.113805D+02 -0.280075D+02 -0.270030D+02 -0.966772D+01  0.143372D+02
      5   0.331414D+02 -0.283275D+02 -0.511295D+02  0.218252D+02 -0.758732D+01
      6  -0.276632D+01  0.858669D+01  0.769204D+01 -0.627027D+00 -0.773626D+00
               201           202           203           204           205 
      1   0.238260D+02 -0.216202D+02  0.163922D+02 -0.101019D+02  0.568064D+02
      2  -0.109343D+02  0.106919D+02 -0.680530D+01  0.346395D+01 -0.288441D+02
      3  -0.128916D+02  0.109283D+02 -0.958689D+01  0.663792D+01 -0.279623D+02
      4  -0.754974D+01  0.203419D+02 -0.123529D+02  0.720634D+01 -0.122487D+02
      5   0.219025D+02 -0.999146D+01  0.688331D+01 -0.167320D+02  0.326668D+02
      6   0.315906D+00 -0.196260D+00 -0.141917D+01  0.279937D+01 -0.103862D+00
               206           207           208           209           210 
      1  -0.124849D+02  0.281824D+02  0.484366D+02  0.273838D+02 -0.870581D+01
      2   0.507143D+01 -0.164718D+02 -0.212525D+02 -0.113296D+02  0.515140D+01
      3   0.741346D+01 -0.117105D+02 -0.271841D+02 -0.160542D+02  0.355441D+01
      4   0.152348D+02 -0.149097D+02  0.341949D+02  0.320763D+02 -0.100413D+02
      5  -0.153955D+02  0.419071D+02 -0.146346D+02 -0.113934D+02  0.142930D+02
      6   0.245790D+01  0.298019D+00 -0.605693D+01 -0.497703D+01  0.302044D+01
               211           212           213           214           215 
      1   0.586861D+02  0.317602D+02 -0.126292D+02 -0.112651D+02 -0.756052D+01
      2  -0.238587D+02 -0.596816D+01  0.640435D+01  0.701509D+01  0.338917D+01
      3  -0.348274D+02 -0.257920D+02  0.622485D+01  0.425002D+01  0.417134D+01
      4   0.537562D+02  0.621957D+02 -0.184144D+02 -0.123146D+02 -0.152330D+02
      5  -0.224693D+02 -0.195034D+02  0.162678D+02  0.214702D+02  0.901537D+01
      6  -0.968185D+01 -0.117304D+02  0.814219D+01  0.487260D+01  0.716267D+01
               216           217           218           219           220 
      1   0.127619D+02  0.112708D+02 -0.154185D+01  0.115948D+02 -0.724003D+01
      2  -0.789975D+01 -0.969925D+01  0.392476D+01 -0.127133D+02  0.716663D+01
      3  -0.486211D+01 -0.157158D+01 -0.238292D+01  0.111849D+01  0.734085D-01
      4   0.848268D+01  0.298899D+01  0.890093D+01  0.297712D+01  0.503181D+01
      5  -0.132109D+02  0.186113D+02  0.196365D-01  0.237954D+02 -0.700094D+01
      6  -0.405211D+01  0.350437D+01  0.213552D+01  0.515222D+01  0.617982D+00
               221           222           223           224           225 
      1   0.341215D+01 -0.268591D+01  0.153854D+02 -0.242630D+01  0.373621D+01
      2  -0.214692D+01  0.690112D+01 -0.156379D+02  0.532486D+01 -0.239562D+02
      3  -0.126523D+01 -0.421521D+01  0.252568D+00 -0.289855D+01  0.202200D+02
      4  -0.169475D+01  0.378462D+01  0.480903D+01  0.795843D+01  0.204513D+01
      5   0.547499D+01 -0.158592D+02  0.242695D+02 -0.160139D+01  0.523542D+02
      6  -0.177596D+01  0.223512D+00  0.550958D+01  0.440084D+01  0.135651D+02
               226           227           228           229           230 
      1  -0.540650D+02  0.134525D+02  0.119847D+02  0.759610D+01 -0.101209D+02
      2   0.300253D+02 -0.121766D+02 -0.665157D+01 -0.567157D+01  0.101216D+02
      3   0.240396D+02 -0.127591D+01 -0.533312D+01 -0.192452D+01 -0.685759D-03
      4  -0.144501D+02 -0.397862D+01 -0.142719D+01  0.217248D+01  0.357268D+01
      5  -0.110782D+01 -0.378805D+01 -0.346012D+01 -0.101073D+01 -0.539222D+00
      6   0.321506D+01 -0.516280D+01 -0.504829D+01 -0.347884D+01  0.186448D+01
               231           232           233           234           235 
      1  -0.378015D+01  0.979347D+01 -0.257752D+01 -0.592712D+01  0.128071D+02
      2   0.234053D+01 -0.524683D+01  0.105456D+01  0.275456D+00  0.265168D+01
      3   0.143962D+01 -0.454664D+01  0.152296D+01  0.565167D+01 -0.154587D+02
      4  -0.107211D+01  0.141898D+01 -0.232236D+01 -0.121895D+01  0.265119D+02
      5  -0.205228D+01  0.211839D+01 -0.367746D+00  0.503561D+01  0.203849D+01
      6   0.166454D+01 -0.335258D+01  0.265649D+01  0.314530D+01  0.163687D+01
               236           237           238           239           240 
      1   0.114529D+02 -0.592244D+00  0.132923D+02 -0.197223D+01 -0.106338D+01
      2   0.753183D+01 -0.138608D+01  0.886017D+01  0.382639D+02 -0.116890D+01
      3  -0.189847D+02  0.197833D+01 -0.221524D+02 -0.362917D+02  0.223228D+01
      4   0.334773D+02  0.110811D+00  0.388513D+02  0.697886D+02 -0.120029D+01
      5   0.221450D+01  0.794509D+01  0.206559D+01  0.187474D+01  0.691296D+01
      6   0.224102D+01  0.378842D+01  0.185098D+01  0.488730D+01  0.692531D+01
               241           242           243           244           245 
      1  -0.499890D+01 -0.449688D+00  0.286581D+01  0.199540D+01  0.115855D+01
      2  -0.103315D+01 -0.615738D+01 -0.177787D-01 -0.586077D+01  0.996122D-01
      3   0.603205D+01  0.660707D+01 -0.284803D+01  0.386537D+01 -0.125816D+01
      4  -0.742089D+01 -0.139051D+02  0.672792D+01  0.248467D+01  0.539167D+01
      5   0.746899D+01  0.514324D+01 -0.102715D+01 -0.138732D+02  0.736505D+00
      6   0.378746D+01  0.606072D+01 -0.210041D+01 -0.104557D+01 -0.162331D+00
               246           247           248           249           250 
      1  -0.796912D+01  0.124355D+01  0.139378D+01  0.224389D+00 -0.104394D+02
      2   0.665755D+01  0.354283D+00 -0.143728D+01 -0.129166D+01  0.106285D+02
      3   0.131157D+01 -0.159784D+01  0.434964D-01  0.106727D+01 -0.189048D+00
      4  -0.320192D+00  0.857199D+01 -0.108364D+01 -0.451618D+01 -0.179575D+01
      5   0.132689D+02  0.692683D+00 -0.501434D+01 -0.184205D+00  0.191760D+02
      6   0.101477D+01 -0.129982D+01 -0.528394D+00  0.514216D+01  0.916805D+00
               251           252           253           254           255 
      1   0.549869D+00 -0.410671D+01 -0.846632D+02 -0.921119D+01  0.833218D+01
      2  -0.845918D+00 -0.171091D+02  0.469367D+02  0.148025D+02 -0.590967D+01
      3   0.296050D+00  0.212158D+02  0.377265D+02 -0.559126D+01 -0.242251D+01
      4  -0.830929D+01  0.135500D+01 -0.149327D+02  0.279268D+02  0.361512D+01
      5   0.231791D-02 -0.448454D+02  0.120510D+02  0.858731D+00  0.982606D+01
      6   0.394189D+01 -0.425657D+01  0.654941D+01  0.395332D+00  0.531466D+01
               256           257           258           259           260 
      1   0.174590D+02  0.339246D+02 -0.524880D+01  0.195195D+02 -0.495764D+01
      2   0.337325D+01 -0.250813D+02  0.113772D+02 -0.551660D+01  0.153574D+02
      3  -0.208322D+02 -0.884327D+01 -0.612840D+01 -0.140029D+02 -0.103998D+02
      4   0.416524D+02  0.185394D+01  0.182005D+02  0.127327D+02  0.249145D+02
      5   0.502975D+01  0.199279D+02 -0.431848D+01  0.116172D+02 -0.776793D+01
      6   0.423273D+01  0.141956D+02 -0.166042D+01  0.505851D+01 -0.365789D+01
               261           262           263           264           265 
      1   0.173569D+02  0.463109D+01 -0.744122D+01  0.612537D+00 -0.401211D+01
      2  -0.638592D+01  0.423460D+01 -0.401935D+01  0.258573D+00 -0.882156D+01
      3  -0.109710D+02 -0.886568D+01  0.114606D+02 -0.871110D+00  0.128337D+02
      4  -0.292469D+01 -0.148239D+02  0.217271D+02 -0.128333D+01  0.251333D+02
      5  -0.292325D+02 -0.556170D+00 -0.405216D-01  0.248955D+01 -0.262021D+00
      6  -0.140276D+02 -0.386273D+00  0.260289D+00 -0.793020D+00  0.620737D+00
               266           267           268           269           270 
      1  -0.115084D+02 -0.609865D-01  0.188667D+01  0.292857D+01 -0.146756D+01
      2   0.419478D+02 -0.237763D+01  0.406548D+01 -0.156901D+02  0.457647D+01
      3  -0.304394D+02  0.243862D+01 -0.595215D+01  0.127615D+02 -0.310891D+01
      4  -0.636816D+02  0.261144D+01 -0.112511D+02  0.268742D+02 -0.770089D+01
      5   0.620295D+00 -0.792461D+01  0.339744D+01 -0.688763D+01  0.263233D+01
      6  -0.121772D+01  0.564571D+01 -0.289085D+01  0.815744D+01 -0.292323D+01
               271           272           273           274           275 
      1   0.515729D+01  0.278301D+01  0.559407D+01 -0.179082D+01 -0.683083D+01
      2  -0.492643D+01 -0.320504D+01 -0.216605D+01  0.687180D-02  0.533119D+01
      3  -0.230861D+00  0.422034D+00 -0.342802D+01  0.178395D+01  0.149964D+01
      4   0.571590D+00 -0.327568D+01  0.847587D+00 -0.130555D+01  0.238684D+01
      5   0.327073D+01 -0.595265D+00 -0.385765D+00  0.563383D+00  0.343043D+01
      6   0.165676D+01 -0.114274D+01 -0.163481D+01  0.699163D-01  0.230954D+01
               276           277           278           279           280 
      1  -0.221791D+01  0.125303D+02 -0.313704D+01 -0.124954D+02  0.129438D+03
      2   0.135467D+01 -0.594129D+01  0.373851D+01 -0.306830D+01 -0.611382D+02
      3   0.863248D+00 -0.658897D+01 -0.601468D+00  0.155637D+02 -0.683002D+02
      4   0.332221D+01  0.937133D+01  0.127581D+02  0.860625D+01  0.488465D+02
      5   0.533396D+01  0.760727D+01  0.994488D+01  0.411023D+02 -0.499222D+01
      6   0.634502D+01  0.208342D+01  0.923329D+01  0.227092D+02 -0.225502D+01
               281           282           283           284           285 
      1   0.122813D+02 -0.521234D+01 -0.712955D+01  0.658711D+01  0.693395D+00
      2  -0.114970D+01  0.284487D+01  0.632845D+01 -0.100203D+01 -0.151030D+01
      3  -0.111316D+02  0.236747D+01  0.801103D+00 -0.558508D+01  0.816902D+00
      4   0.208914D+02 -0.973401D+00  0.105724D+02  0.366014D+01 -0.226140D+01
      5  -0.117835D+00  0.131165D+02 -0.142786D+00 -0.252840D+01 -0.552428D-01
      6   0.291590D+00  0.390478D+01 -0.138313D+00 -0.106914D+01  0.821198D+00
               286           287           288           289           290 
      1  -0.132899D+02 -0.821548D+00  0.896494D+01  0.790026D+00  0.130782D+02
      2   0.647780D+01 -0.145810D+01 -0.560976D+01  0.186491D+01 -0.141155D+02
      3   0.681215D+01  0.227965D+01 -0.335518D+01 -0.265493D+01  0.103737D+01
      4  -0.628841D+01 -0.505437D+01  0.437599D+01  0.283168D+01 -0.819822D+01
      5   0.148445D+02  0.261568D+01 -0.755165D+00 -0.301635D+01  0.154562D+01
      6   0.384570D+01  0.200681D+01  0.457354D+00 -0.236904D+01  0.198862D+01
               291           292           293           294           295 
      1  -0.476883D+01  0.978540D+01 -0.295599D+02  0.670997D+01 -0.818647D+01
      2   0.360623D+01 -0.479090D+01  0.466893D+02 -0.971259D+01  0.290702D+01
      3   0.116260D+01 -0.499450D+01 -0.171294D+02  0.300261D+01  0.527946D+01
      4  -0.349276D+00  0.781051D+01  0.437007D+02 -0.103582D+02 -0.661296D+01
      5  -0.274341D+01 -0.556236D+00 -0.126628D+02  0.950023D+01  0.128505D+01
      6  -0.299331D+01 -0.382930D+00 -0.102800D+02  0.888008D+01  0.176940D-01
               296           297 
      1   0.907638D+01 -0.826511D+01
      2  -0.144129D+02  0.714753D+01
      3   0.533647D+01  0.111758D+01
      4  -0.196544D+02  0.842265D+01
      5   0.104229D+02 -0.539002D+01
      6   0.102778D+02 -0.599643D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.403531D+00      0.102567D+01      0.342128D+01
   y         -0.196659D-02     -0.499856D-02     -0.166734D-01
   z          0.477743D+00      0.121430D+01      0.405048D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.206967D+03      0.306694D+02      0.341243D+02
   yx        -0.463358D+00     -0.686625D-01     -0.763974D-01
   yy         0.126884D+03      0.188023D+02      0.209204D+02
   zx         0.201432D+00      0.298491D-01      0.332116D-01
   zy        -0.506065D-01     -0.749910D-02     -0.834388D-02
   zz         0.145143D+03      0.215079D+02      0.239308D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170032D+03      0.251962D+02      0.280345D+02
   aniso      0.766558D+02      0.113592D+02      0.126388D+02
   xx         0.219930D+03      0.325903D+02      0.362616D+02
   yx        -0.711690D+00     -0.105462D+00     -0.117342D+00
   yy         0.135570D+03      0.200895D+02      0.223526D+02
   zx         0.587698D+00      0.870878D-01      0.968983D-01
   zy        -0.129024D-01     -0.191195D-02     -0.212733D-02
   zz         0.154596D+03      0.229087D+02      0.254894D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.35628412         -1.49730413          2.94051292
     6          2.05547858         -1.45735212          1.88994254
     6         -2.49559630         -1.25464841          1.43631060
     6         -2.28402527         -0.97930461         -1.16830369
     6          0.12700174         -0.94006781         -2.23444570
     6          2.25550401         -1.17505787         -0.72550377
     6          4.38661432         -1.63331218          3.50856039
     6          5.76038484          0.90865256          3.87786098
     6          8.23505352          0.50956942          5.31042548
     6          4.08696700          2.84472723          5.21320190
     6         -4.62932436         -0.77535690         -2.81412876
     6         -4.50928548          1.67555242         -4.29530484
     8         -3.68433655          1.91738560         -6.40149188
     8         -5.40304324          3.64785327         -2.93738034
     1         -0.56661558         -1.71199336          4.96559337
     1         -4.35100582         -1.28200302          2.30113698
     1          0.33655028         -0.71050606         -4.25671632
     1          4.11015398         -1.14151527         -1.59389629
     1          5.71040603         -2.97437160          2.65930994
     1          3.88575900         -2.39022330          5.36615261
     1          6.21430410          1.64488457          1.99657728
     1          9.46690361         -0.82408225          4.32898339
     1          7.87218885         -0.24112324          7.20146014
     1          9.26344529          2.28478768          5.52844923
     1          3.56913582          2.18017858          7.10114731
     1          2.34634789          3.19316456          4.16726981
     1          5.07367852          4.64345011          5.42982452
     1         -6.26138443         -0.64709785         -1.56188587
     6         -4.93011911         -3.03931338         -4.58658990
     1         -5.17418903          5.15072499         -3.96235958
     1         -3.35193315         -3.14982713         -5.90159305
     1         -6.66586380         -2.88831921         -5.68832980
     1         -4.99305448         -4.77873879         -3.48536316

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.625364D+00      0.158952D+01      0.530205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.181026D+03      0.268252D+02      0.298471D+02
   yx        -0.287663D+00     -0.426272D-01     -0.474292D-01
   yy         0.126883D+03      0.188021D+02      0.209202D+02
   zx         0.305113D+02      0.452131D+01      0.503063D+01
   zy        -0.233752D+00     -0.346385D-01     -0.385405D-01
   zz         0.171086D+03      0.253523D+02      0.282082D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170032D+03      0.251962D+02      0.280345D+02
   aniso      0.766558D+02      0.113592D+02      0.126388D+02
   xx         0.192146D+03      0.284730D+02      0.316805D+02
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 A leading authority is anyone who has guessed right more than once.
 -- Frank A. Clark
 Job cpu time:       1 days 12 hours  8 minutes 13.4 seconds.
 Elapsed time:       0 days  4 hours 31 minutes 13.6 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 17:00:53 2021.
